BDBM50097365 1-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-4-carbonitrile::1-Imidazol-1-ylmethyl-9-oxo-9H-xanthene-4-carbonitrile::CHEMBL442373

SMILES: O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)C#N

InChI Key: InChIKey=ILCZWQUJENBNHZ-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50097365   

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 (Homo sapiens (Human))	BDBM50097365 (1-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-4-c...) Show SMILES O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)C#N Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)16-17(22)14-3-1-2-4-15(14)23-18(12)16/h1-8,11H,10H2	PDB 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	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human testicular microsome Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50097365 (1-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-4-c...) Show SMILES O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)C#N Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)16-17(22)14-3-1-2-4-15(14)23-18(12)16/h1-8,11H,10H2	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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50097365 (1-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-4-c...) Show SMILES O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)C#N Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)16-17(22)14-3-1-2-4-15(14)23-18(12)16/h1-8,11H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Coimbra Curated by ChEMBL					Assay Description Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by liquid scintillation counting in presence of NADPH				J Med Chem 52: 143-50 (2009) Article DOI: 10.1021/jm800945c BindingDB Entry DOI: 10.7270/Q2SQ9080
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50097365 (1-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-4-c...) Show SMILES O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)C#N Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)16-17(22)14-3-1-2-4-15(14)23-18(12)16/h1-8,11H,10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 1723-9 (2013) Article DOI: 10.1021/jm301844q BindingDB Entry DOI: 10.7270/Q22808ZV
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50097365 (1-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-4-c...) Show SMILES O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)C#N Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)16-17(22)14-3-1-2-4-15(14)23-18(12)16/h1-8,11H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human placental CYP19 using [1beta-3H]androstenedione as substrate by 3H2O-method				J Med Chem 56: 1723-9 (2013) Article DOI: 10.1021/jm301844q BindingDB Entry DOI: 10.7270/Q22808ZV
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50097365 (1-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-4-c...) Show SMILES O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)C#N Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)16-17(22)14-3-1-2-4-15(14)23-18(12)16/h1-8,11H,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli co-expressing rat NADPH-P450-reductase using progesterone as substrate				J Med Chem 56: 1723-9 (2013) Article DOI: 10.1021/jm301844q BindingDB Entry DOI: 10.7270/Q22808ZV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50097365 (1-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-4-c...) Show SMILES O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)C#N Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)16-17(22)14-3-1-2-4-15(14)23-18(12)16/h1-8,11H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 1723-9 (2013) Article DOI: 10.1021/jm301844q BindingDB Entry DOI: 10.7270/Q22808ZV
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50097365 (1-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-4-c...) Show SMILES O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)C#N Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)16-17(22)14-3-1-2-4-15(14)23-18(12)16/h1-8,11H,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Accelrys Curated by ChEMBL					Assay Description In vitro inhibition of human Cytochrome P450 17A1 activity				J Med Chem 46: 2345-51 (2003) Article DOI: 10.1021/jm020576u BindingDB Entry DOI: 10.7270/Q2WD41B7
					More data for this Ligand-Target Pair