BDBM50197532 CHEMBL3974592

SMILES: CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1

InChI Key: InChIKey=GIPPBCDUHJCGNM-LJTNYMJHSA-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 = 50197532   

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))	BDBM50197532 (CHEMBL3974592) Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1 |r,THB:10:8:5.4:1| Show InChI InChI=1S/C24H44N4O5S/c1-23(2)17-12-13-24(23,3)19(15-17)26-21(29)20(16-9-5-4-6-10-16)28-34(32,33)27-18(22(30)31)11-7-8-14-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/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	4.70E+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 in presence of 1% human serum albumin 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