BDBM50358194 CHEMBL1921978

SMILES: CNC(=O)c1ccc2cc(ccc2c1)C1(O)c2cncn2CC1(C)C

InChI Key: InChIKey=VFQVXPOUVYTBQX-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 = 50358194   

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
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50358194 (CHEMBL1921978) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C1(O)c2cncn2CC1(C)C Show InChI InChI=1S/C20H21N3O2/c1-19(2)11-23-12-22-10-17(23)20(19,25)16-7-6-13-8-15(18(24)21-3)5-4-14(13)9-16/h4-10,12,25H,11H2,1-3H3,(H,21,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50358194 (CHEMBL1921978) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C1(O)c2cncn2CC1(C)C Show InChI InChI=1S/C20H21N3O2/c1-19(2)11-23-12-22-10-17(23)20(19,25)16-7-6-13-8-15(18(24)21-3)5-4-14(13)9-16/h4-10,12,25H,11H2,1-3H3,(H,21,24)	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	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 assessed as conversion of testosterone into 6-hydroxytestosterone after 30 mins by HPLC analysis				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50358194 (CHEMBL1921978) Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C1(O)c2cncn2CC1(C)C Show InChI InChI=1S/C20H21N3O2/c1-19(2)11-23-12-22-10-17(23)20(19,25)16-7-6-13-8-15(18(24)21-3)5-4-14(13)9-16/h4-10,12,25H,11H2,1-3H3,(H,21,24)	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	88	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of 17,20-lyase activity of human CYP17A1				Bioorg Med Chem 19: 6383-99 (2011) Article DOI: 10.1016/j.bmc.2011.08.066 BindingDB Entry DOI: 10.7270/Q2X63NDF
					More data for this Ligand-Target Pair