BDBM50197575 CHEMBL3893656

SMILES: CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O

InChI Key: InChIKey=XCBZCAGPFKZFDD-KYGACCNGSA-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 = 50197575   

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 (Homo sapiens (Human))	BDBM50197575 (CHEMBL3893656) Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O |r,THB:10:8:5.4:1| Show InChI InChI=1S/C23H42N4O5S/c1-22(2)16-10-11-23(22,3)19(14-16)25-20(28)18(13-15-7-6-8-15)27-33(31,32)26-17(21(29)30)9-4-5-12-24/h15-19,26-27H,4-14,24H2,1-3H3,(H,25,28)(H,29,30)/t16-,17+,18+,19+,23+/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	360	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