BDBM50029234 CHEMBL134748::Pyridin-2-yl-acetic acid (S)-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl ester

SMILES: C[C@H]1C2CC(CC1OC(=O)Cc1ccccn1)C2(C)C

InChI Key: InChIKey=YDAMVJCAROVWAP-DGHYUSQUSA-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 = 50029234   

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 19A1 (Homo sapiens (Human))	BDBM50029234 (CHEMBL134748 | Pyridin-2-yl-acetic acid (S)-2,6,6-...) Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccccn1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-8-12(17(14,2)3)9-15(11)20-16(19)10-13-6-4-5-7-18-13/h4-7,11-12,14-15H,8-10H2,1-3H3/t11-,12?,14?,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+4	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
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50029234 (CHEMBL134748 | Pyridin-2-yl-acetic acid (S)-2,6,6-...) Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccccn1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-8-12(17(14,2)3)9-15(11)20-16(19)10-13-6-4-5-7-18-13/h4-7,11-12,14-15H,8-10H2,1-3H3/t11-,12?,14?,15?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+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 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))	BDBM50029234 (CHEMBL134748 | Pyridin-2-yl-acetic acid (S)-2,6,6-...) Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccccn1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-8-12(17(14,2)3)9-15(11)20-16(19)10-13-6-4-5-7-18-13/h4-7,11-12,14-15H,8-10H2,1-3H3/t11-,12?,14?,15?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+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 testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair