BDBM50239804 CHEMBL4072324

SMILES: C(c1cc(ns1)-c1ccccc1)n1ccnc1

InChI Key: InChIKey=XQIPNWMEWRTLNI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50239804   

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 11B1 (Homo sapiens (Human))	BDBM50239804 (CHEMBL4072324) Show SMILES C(c1cc(ns1)-c1ccccc1)n1ccnc1 Show InChI InChI=1S/C13H11N3S/c1-2-4-11(5-3-1)13-8-12(17-15-13)9-16-7-6-14-10-16/h1-8,10H,9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis				J Med Chem 60: 5086-5098 (2017) Article DOI: 10.1021/acs.jmedchem.7b00437 BindingDB Entry DOI: 10.7270/Q24F1SWW
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50239804 (CHEMBL4072324) Show SMILES C(c1cc(ns1)-c1ccccc1)n1ccnc1 Show InChI InChI=1S/C13H11N3S/c1-2-4-11(5-3-1)13-8-12(17-15-13)9-16-7-6-14-10-16/h1-8,10H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis				J Med Chem 60: 5086-5098 (2017) Article DOI: 10.1021/acs.jmedchem.7b00437 BindingDB Entry DOI: 10.7270/Q24F1SWW
					More data for this Ligand-Target Pair