BDBM50014449 (1R,2R,3R,5S)-(-)-Pyridin-4-yl-acetic acid 2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl ester::(1S,2S,3S,5R)-(-)-Pyridin-4-yl-acetic acid 2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl ester::CHEMBL319026

SMILES: CC1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C

InChI Key: InChIKey=FYHFPSGWNXSFBI-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50014449   

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 (Rattus norvegicus (Rat))	BDBM50014449 ((1R,2R,3R,5S)-(-)-Pyridin-4-yl-acetic acid 2,6,6-t...) Show SMILES CC1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3,THB:0:1:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3	KEGG UniProtKB/SwissProt 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
Institute of Cancer Research Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of rat testicular Cytochrome P450 steroid 17alpha-hydroxylase/17,20 lyase was determined				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50014449 ((1R,2R,3R,5S)-(-)-Pyridin-4-yl-acetic acid 2,6,6-t...) Show SMILES CC1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3,THB:0:1:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3	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	96	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A1.				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Rattus norvegicus (Rat))	BDBM50014449 ((1R,2R,3R,5S)-(-)-Pyridin-4-yl-acetic acid 2,6,6-t...) Show SMILES CC1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3,THB:0:1:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of rat testicular Cytochrome P450 steroid 17alpha-hydroxylase/17,20 lyase was determined				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Rattus norvegicus (Rat))	BDBM50014449 ((1R,2R,3R,5S)-(-)-Pyridin-4-yl-acetic acid 2,6,6-t...) Show SMILES CC1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3,THB:0:1:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of rat testicular Cytochrome P450 steroid 17alpha-hydroxylase/17,20 lyase was determined				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Rattus norvegicus (Rat))	BDBM50014449 ((1R,2R,3R,5S)-(-)-Pyridin-4-yl-acetic acid 2,6,6-t...) Show SMILES CC1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3,THB:0:1:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of rat testicular Cytochrome P450 steroid 17alpha-hydroxylase/17,20 lyase was determined				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50014449 ((1R,2R,3R,5S)-(-)-Pyridin-4-yl-acetic acid 2,6,6-t...) Show SMILES CC1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3,THB:0:1:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of rat testicular Cytochrome P450 steroid 17alpha-hydroxylase/17,20 lyase was determined				J Med Chem 33: 3050-5 (1990) BindingDB Entry DOI: 10.7270/Q23N22CM
					More data for this Ligand-Target Pair