BDBM50197556 CHEMBL3953898

SMILES: CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O

InChI Key: InChIKey=CQFRJAFNJDXKLZ-PHGOAHNDSA-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 = 50197556   

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
Carboxypeptidase B2 isoform A (Homo sapiens (Human))	BDBM50197556 (CHEMBL3953898) Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:10:8:5.4:1| Show InChI InChI=1S/C25H40N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h4-6,9-10,18-21,28-29H,7-8,11-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of activated human plasma TAFI incubated for 15 mins by chromogenic assay				J Med Chem 59: 9567-9573 (2016) Article DOI: 10.1021/acs.jmedchem.6b01276 BindingDB Entry DOI: 10.7270/Q2MG7RG2
					More data for this Ligand-Target Pair