BDBM50197566 CHEMBL3952628

SMILES: CC(C)C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=LDFLBXVUTJIWLT-DDNHJUOSSA-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 = 50197566   

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))	BDBM50197566 (CHEMBL3952628) Show SMILES CC(C)C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:25:29.28.27,THB:23:22:25.24.29:27,23:24:27:31.22.30,30:22:25:29.28.27,30:28:25:31.22.23| Show InChI InChI=1S/C22H40N4O5S/c1-14(2)7-19(26-32(30,31)25-18(21(28)29)5-3-4-6-23)20(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h14-19,25-26H,3-13,23H2,1-2H3,(H,24,27)(H,28,29)/t15?,16?,17?,18-,19-,22?/m0/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	1.00E+4	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