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Assay Detail

CHEMBL1061237

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Binding
Binding affinity to 5HT1A receptor
ChEMBL ↗
60
Total Activities
58
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

5-hydroxytryptamine receptor 1A (CHEMBL214) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Physical binding pocket induction for affinity prediction.
Langham JJ, Cleves AE, Spitzer R, Kirshner D, Jain AN.
J Med Chem (2009) 52 : 6107 -6125
PubMed 19754201 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 60 7.15 10.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL430332 — — 1 10.00
CHEMBL284585 — — 1 9.70
CHEMBL26118 — — 1 9.70
CHEMBL285774 — — 1 9.50
CHEMBL18840 — — 1 9.40
CHEMBL25418 — — 1 9.00
CHEMBL38288 — — 1 8.90
CHEMBL568077 — — 1 8.70
CHEMBL41436 — — 1 8.70
CHEMBL157138 LISURIDE 3.0 1 8.70
CHEMBL300555 SPIROXATRINE 2.0 1 8.60
CHEMBL567001 — — 1 8.50
CHEMBL416526 BUFOTENINE — 1 8.50
CHEMBL8412 IPSAPIRONE 2.0 1 8.40
CHEMBL49 BUSPIRONE 4.0 1 8.00
CHEMBL11388 — — 1 7.80
CHEMBL25483 — — 1 7.80
CHEMBL22778 — — 1 7.60
CHEMBL285873 — — 2 7.52
CHEMBL267769 — — 1 7.50
CHEMBL10347 RAUWOLSCINE — 1 7.40
CHEMBL11066 — — 1 7.40
CHEMBL11170 — — 1 7.40
CHEMBL267930 SPIPERONE 2.0 1 7.40
CHEMBL578377 — — 1 7.30
CHEMBL11363 — — 1 7.30
CHEMBL500 PINDOLOL 4.0 1 7.20
CHEMBL284092 GEPIRONE 4.0 1 7.10
CHEMBL478 CHLOROPHENYLPIPERAZINE 2.0 1 7.00
CHEMBL12314 MESULERGINE 2.0 1 6.80

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL430332 — Kd = 0.1 nM 10.00
CHEMBL26118 — Kd = 0.1995 nM 9.70
CHEMBL284585 — Kd = 0.1995 nM 9.70
CHEMBL285774 — Kd = 0.3162 nM 9.50
CHEMBL18840 — Kd = 0.3981 nM 9.40
CHEMBL25418 — Kd = 1.0 nM 9.00
CHEMBL38288 — Kd = 1.259 nM 8.90
CHEMBL568077 — Kd = 1.995 nM 8.70
CHEMBL157138 LISURIDE Kd = 1.995 nM 8.70
CHEMBL41436 — Kd = 1.995 nM 8.70
CHEMBL300555 SPIROXATRINE Kd = 2.512 nM 8.60
CHEMBL416526 BUFOTENINE Kd = 3.162 nM 8.50
CHEMBL567001 — Kd = 3.162 nM 8.50
CHEMBL8412 IPSAPIRONE Kd = 3.981 nM 8.40
CHEMBL49 BUSPIRONE Kd = 10.0 nM 8.00
CHEMBL25483 — Kd = 15.85 nM 7.80
CHEMBL11388 — Kd = 15.85 nM 7.80
CHEMBL22778 — Kd = 25.12 nM 7.60
CHEMBL285873 — Kd = 30.0 nM 7.52
CHEMBL267769 — Kd = 31.62 nM 7.50
CHEMBL10347 RAUWOLSCINE Kd = 39.81 nM 7.40
CHEMBL11170 — Kd = 39.81 nM 7.40
CHEMBL11066 — Kd = 39.81 nM 7.40
CHEMBL267930 SPIPERONE Kd = 39.81 nM 7.40
CHEMBL578377 — Kd = 50.12 nM 7.30
CHEMBL285873 — Kd = 50.12 nM 7.30
CHEMBL11363 — Kd = 50.12 nM 7.30
CHEMBL500 PINDOLOL Kd = 63.1 nM 7.20
CHEMBL284092 GEPIRONE Kd = 79.43 nM 7.10
CHEMBL478 CHLOROPHENYLPIPERAZINE Kd = 100.0 nM 7.00
CHEMBL623 NEFAZODONE Kd = 158.49 nM 6.80
CHEMBL12314 MESULERGINE Kd = 158.49 nM 6.80
CHEMBL568290 — Kd = 199.53 nM 6.70
CHEMBL267777 RITANSERIN Kd = 251.19 nM 6.60
CHEMBL280955 — Kd = 251.19 nM 6.60
CHEMBL578767 FLUMEXADOL Kd = 251.19 nM 6.60
CHEMBL567186 — Kd = 316.23 nM 6.50
CHEMBL566970 — Kd = 316.23 nM 6.50
CHEMBL583043 — Kd = 398.11 nM 6.40
CHEMBL85 RISPERIDONE Kd = 398.11 nM 6.40
CHEMBL128 SUMATRIPTAN Kd = 398.11 nM 6.40
CHEMBL6437 MIANSERIN Kd = 398.11 nM 6.40
CHEMBL11065 — Kd = 501.19 nM 6.30
CHEMBL267557 — Kd = 501.19 nM 6.30
CHEMBL269521 MK-212 Kd = 794.33 nM 6.10
CHEMBL51 KETANSERIN Kd = 794.33 nM 6.10
CHEMBL565913 — Kd = 794.33 nM 6.10
CHEMBL715 OLANZAPINE Kd = 1258.93 nM 5.90
CHEMBL18772 QUIPAZINE Kd = 1995.26 nM 5.70
CHEMBL18331 PIRENPERONE Kd = 2511.89 nM 5.60