BDBM50239799 CHEMBL4059931

SMILES: Cc1cncc(Cc2ccc(NC3CC3)nc2)c1

InChI Key: InChIKey=NEJFNYWSUVEJLY-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 = 50239799   

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))	BDBM50239799 (CHEMBL4059931) Show SMILES Cc1cncc(Cc2ccc(NC3CC3)nc2)c1 Show InChI InChI=1S/C15H17N3/c1-11-6-13(9-16-8-11)7-12-2-5-15(17-10-12)18-14-3-4-14/h2,5-6,8-10,14H,3-4,7H2,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description The equilibrium dissociation constant of the inhibitor-enzyme complex of human carbonic anhydrase				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))	BDBM50239799 (CHEMBL4059931) Show SMILES Cc1cncc(Cc2ccc(NC3CC3)nc2)c1 Show InChI InChI=1S/C15H17N3/c1-11-6-13(9-16-8-11)7-12-2-5-15(17-10-12)18-14-3-4-14/h2,5-6,8-10,14H,3-4,7H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	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