BDBM50029227 CHEMBL135095::Pyridin-3-yl-acetic acid (3R,6R)-3,6,8,8-tetramethyl-octahydro-3a,7-methano-azulen-6-yl ester

SMILES: C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1

InChI Key: InChIKey=ABHKGUVAJPJXRQ-NAYOJDKUSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50029227   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50029227 (CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...) Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50029227 (CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...) Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50029227 (CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...) Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human placental Cytochrome P450 19A1				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair