BDBM50122748 CHEMBL3623145

SMILES: CNC(=O)c1ccc(cc1O[C@@H]1CCN(C1)C(=O)c1ccc(Cl)s1)-c1ccccc1NS(C)(=O)=O

InChI Key: InChIKey=XXWLXXJNVPJRMR-MRXNPFEDSA-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 = 50122748   

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
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50122748 (CHEMBL3623145) Show SMILES CNC(=O)c1ccc(cc1O[C@@H]1CCN(C1)C(=O)c1ccc(Cl)s1)-c1ccccc1NS(C)(=O)=O |r| Show InChI InChI=1S/C24H24ClN3O5S2/c1-26-23(29)18-8-7-15(17-5-3-4-6-19(17)27-35(2,31)32)13-20(18)33-16-11-12-28(14-16)24(30)21-9-10-22(25)34-21/h3-10,13,16,27H,11-12,14H2,1-2H3,(H,26,29)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human BCATm after 10 mins by fluorescent assay				ACS Med Chem Lett 6: 919-24 (2015) BindingDB Entry DOI: 10.7270/Q2GB25T0
					More data for this Ligand-Target Pair