BDBM50197577 CHEMBL3934198

SMILES: CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=KJDYVYATVMPQOW-HOZMCVABSA-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 = 50197577   

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))	BDBM50197577 (CHEMBL3934198) Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,THB:10:8:5.4:1| Show InChI InChI=1S/C28H43N3O5S/c1-27(2)21-14-15-28(27,3)24(18-21)29-25(32)22(16-19-10-6-4-7-11-19)30-37(35,36)31-23(26(33)34)17-20-12-8-5-9-13-20/h5,8-9,12-13,19,21-24,30-31H,4,6-7,10-11,14-18H2,1-3H3,(H,29,32)(H,33,34)/t21-,22+,23+,24+,28+/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	2.40E+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