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Assay Detail

CHEMBL1908596

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Binding
Binding constant for ROS1 kinase domain
72
Total Activities
72
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Proto-oncogene tyrosine-protein kinase ROS (CHEMBL5568)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Comprehensive analysis of kinase inhibitor selectivity.
Davis MI, Hunt JP, Herrgard S, Ciceri P, Wodicka LM, Pallares G, Hocker M, Treiber DK, Zarrinkar PP.
Nat Biotechnol (2011) 29 : 1046 -1051
PubMed 22037378 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 72 6.58 9.31

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL509032 TAE-684 1 9.31
CHEMBL601719 CRIZOTINIB 4.0 1 8.39
CHEMBL1230609 FORETINIB 2.0 1 7.85
CHEMBL464552 1 7.82
CHEMBL603469 LESTAURTINIB 3.0 1 7.58
CHEMBL475251 R-406 2.0 1 7.54
CHEMBL388978 STAUROSPORINE 1 7.52
CHEMBL608533 MIDOSTAURIN 4.0 1 6.37
CHEMBL1287853 FEDRATINIB 4.0 1 6.22
CHEMBL572878 TOZASERTIB 2.0 1 6.21
CHEMBL477772 PAZOPANIB 4.0 1 6.04
CHEMBL1241674 1 5.92
CHEMBL574738 AST-487 1.0 1 5.77
CHEMBL450786 PHA-665752 1 5.52
CHEMBL259084 MLN-8054 1.0 1 5.51
CHEMBL1289926 AXITINIB 4.0 1 5.50
CHEMBL502835 NINTEDANIB 4.0 1 5.43
CHEMBL1908395 1 5.35
CHEMBL91829 RUBOXISTAURIN 3.0 1 5.24
CHEMBL572881 MOTESANIB 3.0 1 -
CHEMBL576982 QUIZARTINIB 4.0 1 -
CHEMBL10 SB-203580 1 -
CHEMBL608154 1 -
CHEMBL105442 CI-1040 2.0 1 -
CHEMBL384304 RG-547 2.0 1 -
CHEMBL939 GEFITINIB 4.0 1 -
CHEMBL377300 BRIVANIB 3.0 1 -
CHEMBL180022 NERATINIB 4.0 1 -
CHEMBL31965 CANERTINIB 3.0 1 -
CHEMBL215152 DEFOSBARASERTIB 2.0 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL509032 TAE-684 Kd = 0.49 nM 9.31
CHEMBL601719 CRIZOTINIB Kd = 4.1 nM 8.39
CHEMBL1230609 FORETINIB Kd = 14.0 nM 7.85
CHEMBL464552 Kd = 15.0 nM 7.82
CHEMBL603469 LESTAURTINIB Kd = 26.0 nM 7.58
CHEMBL475251 R-406 Kd = 29.0 nM 7.54
CHEMBL388978 STAUROSPORINE Kd = 30.0 nM 7.52
CHEMBL608533 MIDOSTAURIN Kd = 430.0 nM 6.37
CHEMBL1287853 FEDRATINIB Kd = 600.0 nM 6.22
CHEMBL572878 TOZASERTIB Kd = 610.0 nM 6.21
CHEMBL477772 PAZOPANIB Kd = 920.0 nM 6.04
CHEMBL1241674 Kd = 1200.0 nM 5.92
CHEMBL574738 AST-487 Kd = 1700.0 nM 5.77
CHEMBL450786 PHA-665752 Kd = 3000.0 nM 5.52
CHEMBL259084 MLN-8054 Kd = 3100.0 nM 5.51
CHEMBL1289926 AXITINIB Kd = 3200.0 nM 5.50
CHEMBL502835 NINTEDANIB Kd = 3700.0 nM 5.43
CHEMBL1908395 Kd = 4500.0 nM 5.35
CHEMBL91829 RUBOXISTAURIN Kd = 5800.0 nM 5.24
CHEMBL513909 BI-2536 Kd > 10000.0 nM -
CHEMBL535 SUNITINIB Kd > 10000.0 nM -
CHEMBL1614701 SELUMETINIB Kd > 10000.0 nM -
CHEMBL1721885 SU-014813 Kd > 10000.0 nM -
CHEMBL386051 Kd > 10000.0 nM -
CHEMBL941 IMATINIB Kd > 10000.0 nM -
CHEMBL221959 TOFACITINIB Kd > 10000.0 nM -
CHEMBL1173655 AFATINIB Kd > 10000.0 nM -
CHEMBL445813 AT-7519 Kd > 10000.0 nM -
CHEMBL1336 SORAFENIB Kd > 10000.0 nM -
CHEMBL261849 GW632580X Kd > 10000.0 nM -
CHEMBL255863 NILOTINIB Kd > 10000.0 nM -
CHEMBL494089 GSK-690693 Kd > 10000.0 nM -
CHEMBL558752 RAF-265 Kd > 10000.0 nM -
CHEMBL288441 BOSUTINIB Kd > 10000.0 nM -
CHEMBL300138 ENZASTAURIN Kd > 10000.0 nM -
CHEMBL1908394 GSK-461364 Kd > 10000.0 nM -
CHEMBL522892 DOVITINIB Kd > 10000.0 nM -
CHEMBL1236107 SGX-523 Kd > 10000.0 nM -
CHEMBL124660 TANDUTINIB Kd > 10000.0 nM -
CHEMBL215152 DEFOSBARASERTIB Kd > 10000.0 nM -
CHEMBL31965 CANERTINIB Kd > 10000.0 nM -
CHEMBL180022 NERATINIB Kd > 10000.0 nM -
CHEMBL377300 BRIVANIB Kd > 10000.0 nM -
CHEMBL939 GEFITINIB Kd > 10000.0 nM -
CHEMBL384304 RG-547 Kd > 10000.0 nM -
CHEMBL105442 CI-1040 Kd > 10000.0 nM -
CHEMBL608154 Kd > 10000.0 nM -
CHEMBL10 SB-203580 Kd > 10000.0 nM -
CHEMBL576982 QUIZARTINIB Kd > 10000.0 nM -
CHEMBL572881 MOTESANIB Kd > 10000.0 nM -