BDBM50197557 CHEMBL3968851

SMILES: NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC2CC1C1CCCC21)C(O)=O

InChI Key: InChIKey=SLROOTQKYKGVCV-SWISWOKGSA-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 = 50197557   

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))	BDBM50197557 (CHEMBL3968851) Show SMILES NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC2CC1C1CCCC21)C(O)=O |r,TLB:21:22:25:27.31,30:31:23.22:25,THB:28:27:23.22:25| Show InChI InChI=1S/C25H44N4O5S/c26-12-5-4-11-21(25(31)32)28-35(33,34)29-23(13-16-7-2-1-3-8-16)24(30)27-22-15-17-14-20(22)19-10-6-9-18(17)19/h16-23,28-29H,1-15,26H2,(H,27,30)(H,31,32)/t17?,18?,19?,20?,21-,22?,23-/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	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