BDBM50429524 CHEMBL2333326

SMILES: Clc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O

InChI Key: InChIKey=HJWKBORBWDDYTP-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 = 50429524   

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))	BDBM50429524 (CHEMBL2333326) Show SMILES Clc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O Show InChI InChI=1S/C17H11ClN2O2/c18-13-6-5-11(9-20-8-7-19-10-20)15-16(21)12-3-1-2-4-14(12)22-17(13)15/h1-8,10H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	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 11B1, mitochondrial (Homo sapiens (Human))	BDBM50429524 (CHEMBL2333326) Show SMILES Clc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O Show InChI InChI=1S/C17H11ClN2O2/c18-13-6-5-11(9-20-8-7-19-10-20)15-16(21)12-3-1-2-4-14(12)22-17(13)15/h1-8,10H,9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	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 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50429524 (CHEMBL2333326) Show SMILES Clc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O Show InChI InChI=1S/C17H11ClN2O2/c18-13-6-5-11(9-20-8-7-19-10-20)15-16(21)12-3-1-2-4-14(12)22-17(13)15/h1-8,10H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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))	BDBM50429524 (CHEMBL2333326) Show SMILES Clc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O Show InChI InChI=1S/C17H11ClN2O2/c18-13-6-5-11(9-20-8-7-19-10-20)15-16(21)12-3-1-2-4-14(12)22-17(13)15/h1-8,10H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	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