BDBM50092180 CHEMBL3582468

SMILES: COc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1

InChI Key: InChIKey=LEJWCNPJFKFYLS-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 = 50092180   

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 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50092180 (CHEMBL3582468) Show SMILES COc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1 Show InChI InChI=1S/C16H15N3O/c1-20-13-6-7-14-15(9-13)19(12-4-5-12)16(18-14)11-3-2-8-17-10-11/h2-3,6-10,12H,4-5H2,1H3	PDB UniProtKB/SwissProt 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay				ACS Med Chem Lett 6: 573-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00054 BindingDB Entry DOI: 10.7270/Q2K64KT8
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50092180 (CHEMBL3582468) Show SMILES COc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1 Show InChI InChI=1S/C16H15N3O/c1-20-13-6-7-14-15(9-13)19(12-4-5-12)16(18-14)11-3-2-8-17-10-11/h2-3,6-10,12H,4-5H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay				ACS Med Chem Lett 6: 573-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00054 BindingDB Entry DOI: 10.7270/Q2K64KT8
					More data for this Ligand-Target Pair