BDBM50014458 CHEMBL102884::Pyridin-4-yl-acetic acid 4-tert-butyl-cyclohexyl ester

SMILES: CC(C)(C)C1CCC(CC1)OC(=O)Cc1ccncc1

InChI Key: InChIKey=IKQALCFUJBVZDS-UHFFFAOYSA-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 = 50014458   

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))	BDBM50014458 (CHEMBL102884 | Pyridin-4-yl-acetic acid 4-tert-but...) Show SMILES CC(C)(C)C1CCC(CC1)OC(=O)Cc1ccncc1 |(-2.68,-8.66,;-1.35,-7.89,;-1.33,-6.35,;-.95,-9.39,;-.02,-8.68,;-.02,-10.22,;1.31,-11,;2.64,-10.23,;2.64,-8.69,;1.33,-7.92,;3.97,-11,;5.3,-10.23,;5.3,-8.69,;6.63,-11,;7.98,-10.23,;9.31,-11,;10.65,-10.23,;10.65,-8.69,;9.31,-7.92,;7.98,-8.69,)| Show InChI InChI=1S/C17H25NO2/c1-17(2,3)14-4-6-15(7-5-14)20-16(19)12-13-8-10-18-11-9-13/h8-11,14-15H,4-7,12H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+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))	BDBM50014458 (CHEMBL102884 | Pyridin-4-yl-acetic acid 4-tert-but...) Show SMILES CC(C)(C)C1CCC(CC1)OC(=O)Cc1ccncc1 |(-2.68,-8.66,;-1.35,-7.89,;-1.33,-6.35,;-.95,-9.39,;-.02,-8.68,;-.02,-10.22,;1.31,-11,;2.64,-10.23,;2.64,-8.69,;1.33,-7.92,;3.97,-11,;5.3,-10.23,;5.3,-8.69,;6.63,-11,;7.98,-10.23,;9.31,-11,;10.65,-10.23,;10.65,-8.69,;9.31,-7.92,;7.98,-8.69,)| Show InChI InChI=1S/C17H25NO2/c1-17(2,3)14-4-6-15(7-5-14)20-16(19)12-13-8-10-18-11-9-13/h8-11,14-15H,4-7,12H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+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 17-alpha-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))	BDBM50014458 (CHEMBL102884 | Pyridin-4-yl-acetic acid 4-tert-but...) Show SMILES CC(C)(C)C1CCC(CC1)OC(=O)Cc1ccncc1 |(-2.68,-8.66,;-1.35,-7.89,;-1.33,-6.35,;-.95,-9.39,;-.02,-8.68,;-.02,-10.22,;1.31,-11,;2.64,-10.23,;2.64,-8.69,;1.33,-7.92,;3.97,-11,;5.3,-10.23,;5.3,-8.69,;6.63,-11,;7.98,-10.23,;9.31,-11,;10.65,-10.23,;10.65,-8.69,;9.31,-7.92,;7.98,-8.69,)| Show InChI InChI=1S/C17H25NO2/c1-17(2,3)14-4-6-15(7-5-14)20-16(19)12-13-8-10-18-11-9-13/h8-11,14-15H,4-7,12H2,1-3H3	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	310	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