BDBM50011756 1-(4-Amino-phenyl)-3-cyclohexyl-3-aza-bicyclo[3.1.1]heptane-2,4-dione::CHEMBL27467

SMILES: Nc1ccc(cc1)C12CC(C1)C(=O)N(C1CCCCC1)C2=O

InChI Key: InChIKey=QQMGXUVJMQNZGE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50011756   

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))	BDBM50011756 (1-(4-Amino-phenyl)-3-cyclohexyl-3-aza-bicyclo[3.1....) Show SMILES Nc1ccc(cc1)C12CC(C1)C(=O)N(C1CCCCC1)C2=O |(8.24,.27,;6.91,-.5,;6.9,-2.04,;5.55,-2.81,;4.22,-2.02,;4.21,-.47,;5.55,.28,;2.88,-2.79,;1.55,-2.02,;.23,-2.79,;1.57,-3.56,;.23,-4.33,;-1.11,-5.11,;1.55,-5.11,;1.55,-6.65,;2.88,-7.4,;2.88,-8.96,;1.55,-9.71,;.22,-8.94,;.22,-7.4,;2.88,-4.33,;4.22,-5.11,)| Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-12(11-18)16(21)20(17(18)22)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (Rattus norvegicus)	BDBM50011756 (1-(4-Amino-phenyl)-3-cyclohexyl-3-aza-bicyclo[3.1....) Show SMILES Nc1ccc(cc1)C12CC(C1)C(=O)N(C1CCCCC1)C2=O |(8.24,.27,;6.91,-.5,;6.9,-2.04,;5.55,-2.81,;4.22,-2.02,;4.21,-.47,;5.55,.28,;2.88,-2.79,;1.55,-2.02,;.23,-2.79,;1.57,-3.56,;.23,-4.33,;-1.11,-5.11,;1.55,-5.11,;1.55,-6.65,;2.88,-7.4,;2.88,-8.96,;1.55,-9.71,;.22,-8.94,;.22,-7.4,;2.88,-4.33,;4.22,-5.11,)| Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-12(11-18)16(21)20(17(18)22)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11,19H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of aldosterone production in rat adrenal tissue				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50011756 (1-(4-Amino-phenyl)-3-cyclohexyl-3-aza-bicyclo[3.1....) Show SMILES Nc1ccc(cc1)C12CC(C1)C(=O)N(C1CCCCC1)C2=O |(8.24,.27,;6.91,-.5,;6.9,-2.04,;5.55,-2.81,;4.22,-2.02,;4.21,-.47,;5.55,.28,;2.88,-2.79,;1.55,-2.02,;.23,-2.79,;1.57,-3.56,;.23,-4.33,;-1.11,-5.11,;1.55,-5.11,;1.55,-6.65,;2.88,-7.4,;2.88,-8.96,;1.55,-9.71,;.22,-8.94,;.22,-7.4,;2.88,-4.33,;4.22,-5.11,)| Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-12(11-18)16(21)20(17(18)22)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of estrogen production in hamster ovarian tissue				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50011756 (1-(4-Amino-phenyl)-3-cyclohexyl-3-aza-bicyclo[3.1....) Show SMILES Nc1ccc(cc1)C12CC(C1)C(=O)N(C1CCCCC1)C2=O |(8.24,.27,;6.91,-.5,;6.9,-2.04,;5.55,-2.81,;4.22,-2.02,;4.21,-.47,;5.55,.28,;2.88,-2.79,;1.55,-2.02,;.23,-2.79,;1.57,-3.56,;.23,-4.33,;-1.11,-5.11,;1.55,-5.11,;1.55,-6.65,;2.88,-7.4,;2.88,-8.96,;1.55,-9.71,;.22,-8.94,;.22,-7.4,;2.88,-4.33,;4.22,-5.11,)| Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-12(11-18)16(21)20(17(18)22)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of progesterone production in hamster ovarian tissue				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair