BDBM330381 US9725436, Entry 1

SMILES: NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(Cn3ccnc3)c2)cc1

InChI Key: InChIKey=LEYMDIOZOMLNOX-OWOJBTEDSA-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 = 330381   

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-C17 (CYP17A1) (Bos taurus (Bovine))	BDBM330381 (US9725436, Entry 1) Show SMILES NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(Cn3ccnc3)c2)cc1 Show InChI InChI=1S/C23H25ClN6/c24-21-14-19(13-20(15-21)16-28-8-7-27-17-28)2-1-18-3-5-22(6-4-18)29-9-11-30(12-10-29)23(25)26/h1-8,13-15,17H,9-12,16H2,(H3,25,26)/b2-1+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CORTENDO AB (PUBL) US Patent					Assay Description Cyp21 assay protocol: AD293 cells that stably over-express recombinant CYP-21 were seeded in 96 well plates coated with poly D-lysine (10,000 cell pe...				US Patent US9725436 (2017) BindingDB Entry DOI: 10.7270/Q2KD211N
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM330381 (US9725436, Entry 1) Show SMILES NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(Cn3ccnc3)c2)cc1 Show InChI InChI=1S/C23H25ClN6/c24-21-14-19(13-20(15-21)16-28-8-7-27-17-28)2-1-18-3-5-22(6-4-18)29-9-11-30(12-10-29)23(25)26/h1-8,13-15,17H,9-12,16H2,(H3,25,26)/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1) (Bos taurus (Bovine))	BDBM330381 (US9725436, Entry 1) Show SMILES NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(Cn3ccnc3)c2)cc1 Show InChI InChI=1S/C23H25ClN6/c24-21-14-19(13-20(15-21)16-28-8-7-27-17-28)2-1-18-3-5-22(6-4-18)29-9-11-30(12-10-29)23(25)26/h1-8,13-15,17H,9-12,16H2,(H3,25,26)/b2-1+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
CORTENDO AB (PUBL) US Patent					Assay Description Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...				US Patent US9725436 (2017) BindingDB Entry DOI: 10.7270/Q2KD211N
					More data for this Ligand-Target Pair
Cytochrome P450-C17 (CYP17A1) (Bos taurus (Bovine))	BDBM330381 (US9725436, Entry 1) Show SMILES NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(Cn3ccnc3)c2)cc1 Show InChI InChI=1S/C23H25ClN6/c24-21-14-19(13-20(15-21)16-28-8-7-27-17-28)2-1-18-3-5-22(6-4-18)29-9-11-30(12-10-29)23(25)26/h1-8,13-15,17H,9-12,16H2,(H3,25,26)/b2-1+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
CORTENDO AB (PUBL) US Patent					Assay Description Cyp17 assay protocol: AD293 cells that stably over-express recombinant CYP-17 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...				US Patent US9725436 (2017) BindingDB Entry DOI: 10.7270/Q2KD211N
					More data for this Ligand-Target Pair