BDBM50197564 CHEMBL3927290

SMILES: CC(C)(C)C1CCC(CC1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O

InChI Key: InChIKey=WXMPWZLDDZZEQU-UJKMTWAASA-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 = 50197564   

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))	BDBM50197564 (CHEMBL3927290) Show SMILES CC(C)(C)C1CCC(CC1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,wU:13.14,wD:26.28,(2.75,-7.11,;3.53,-5.79,;1.99,-5.78,;3.54,-4.25,;4.86,-6.57,;6.21,-5.81,;7.54,-6.58,;7.53,-8.13,;6.19,-8.9,;4.85,-8.12,;8.86,-8.91,;10.2,-8.14,;10.2,-6.6,;11.53,-8.91,;11.53,-10.45,;10.19,-11.21,;8.87,-10.43,;7.53,-11.18,;7.51,-12.72,;8.84,-13.51,;10.19,-12.75,;12.86,-8.14,;14.2,-8.91,;13.09,-9.99,;15.28,-9.99,;15.53,-8.14,;16.86,-8.91,;16.86,-10.45,;18.2,-11.22,;18.2,-12.76,;19.53,-13.53,;19.53,-15.07,;18.2,-8.14,;19.53,-8.91,;18.2,-6.6,)| Show InChI InChI=1S/C25H48N4O5S/c1-25(2,3)19-12-14-20(15-13-19)27-23(30)22(17-18-9-5-4-6-10-18)29-35(33,34)28-21(24(31)32)11-7-8-16-26/h18-22,28-29H,4-17,26H2,1-3H3,(H,27,30)(H,31,32)/t19?,20?,21-,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	1.70E+3	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