BDBM50245683 CHEMBL4064141

SMILES: Oc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1

InChI Key: InChIKey=ANUZIFIVTLHYHV-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 = 50245683   

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))	BDBM50245683 (CHEMBL4064141) Show SMILES Oc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1 Show InChI InChI=1S/C17H16N2OS/c20-13-3-4-16-15(8-13)14-5-7-19(11-17(14)21-16)10-12-2-1-6-18-9-12/h1-4,6,8-9,20H,5,7,10-11H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mi...				Eur J Med Chem 132: 157-172 (2017) Article DOI: 10.1016/j.ejmech.2017.03.037 BindingDB Entry DOI: 10.7270/Q2SB4858
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50245683 (CHEMBL4064141) Show SMILES Oc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1 Show InChI InChI=1S/C17H16N2OS/c20-13-3-4-16-15(8-13)14-5-7-19(11-17(14)21-16)10-12-2-1-6-18-9-12/h1-4,6,8-9,20H,5,7,10-11H2	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP17 expressed in human A549 cell membranes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pr...				Eur J Med Chem 132: 157-172 (2017) Article DOI: 10.1016/j.ejmech.2017.03.037 BindingDB Entry DOI: 10.7270/Q2SB4858
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50245683 (CHEMBL4064141) Show SMILES Oc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1 Show InChI InChI=1S/C17H16N2OS/c20-13-3-4-16-15(8-13)14-5-7-19(11-17(14)21-16)10-12-2-1-6-18-9-12/h1-4,6,8-9,20H,5,7,10-11H2	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	5.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human hepatic CYP3A4				Eur J Med Chem 132: 157-172 (2017) Article DOI: 10.1016/j.ejmech.2017.03.037 BindingDB Entry DOI: 10.7270/Q2SB4858
					More data for this Ligand-Target Pair