null

SMILES: C1Cc2ccccc2C1=Cc1cnc[nH]1

InChI Key: InChIKey=FXLOWXDBTSZJFZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 8873   

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 11B1, mitochondrial (Homo sapiens (Human))	BDBM8873 (5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...) Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11| Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25.9	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8873 (5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...) Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11| Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8873 (5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...) Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11| Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM8873 (5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...) Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11| Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8873 (5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...) Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11| Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	955	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8873 (5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...) Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11| Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM8873 (5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...) Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11| Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8873 (5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...) Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11| Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 48: 1796-805 (2005) Article DOI: 10.1021/jm049600p BindingDB Entry DOI: 10.7270/Q2RN362H
					More data for this Ligand-Target Pair