BDBM50197569 CHEMBL3934908

SMILES: NCCCC[C@H](NS(=O)(=O)N[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1)C(O)=O

InChI Key: InChIKey=GCICTGIAMWBFOG-BOSZTNLGSA-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 = 50197569   

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))	BDBM50197569 (CHEMBL3934908) Show SMILES NCCCC[C@H](NS(=O)(=O)N[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1)C(O)=O |r,TLB:14:15:18:22.21.20,THB:16:15:18.17.22:20,16:17:20:24.15.23,23:15:18:22.21.20,23:21:18:24.15.16| Show InChI InChI=1S/C24H36N4O5S/c25-9-5-4-8-20(23(30)31)27-34(32,33)28-21(19-6-2-1-3-7-19)22(29)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h1-3,6-7,16-18,20-21,27-28H,4-5,8-15,25H2,(H,26,29)(H,30,31)/t16?,17?,18?,20-,21-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+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