BDBM50279217 CHEMBL4177019

SMILES: COc1nc2ccc(CN)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12

InChI Key: InChIKey=JGOBOPGZYVMGFZ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50279217   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50279217 (CHEMBL4177019) Show SMILES COc1nc2ccc(CN)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12 Show InChI InChI=1S/C33H35N3O2/c1-36(2)19-18-33(37,29-15-9-13-24-10-7-8-14-27(24)29)31(25-11-5-4-6-12-25)28-21-26-20-23(22-34)16-17-30(26)35-32(28)38-3/h4-17,20-21,31,37H,18-19,22,34H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Effective concentration on alkaline phosphatase activity in human T47D breast carcinoma cell line.				ACS Med Chem Lett 8: 1019-1024 (2017) Article DOI: 10.1021/acsmedchemlett.7b00196 BindingDB Entry DOI: 10.7270/Q22F7R0G
					More data for this Ligand-Target Pair