BDBM50197565 CHEMBL3937445

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

InChI Key: InChIKey=KDZLEJFZLYETPK-BXOWXZKISA-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 = 50197565   

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))	BDBM50197565 (CHEMBL3937445) Show SMILES CC(=N)NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O |r,TLB:24:25:29.28:32| Show InChI InChI=1S/C27H49N5O5S/c1-18(28)29-15-9-8-12-21(25(34)35)31-38(36,37)32-22(16-19-10-6-5-7-11-19)24(33)30-23-17-20-13-14-27(23,4)26(20,2)3/h19-23,31-32H,5-17H2,1-4H3,(H2,28,29)(H,30,33)(H,34,35)/t20-,21+,22+,23+,27+/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	71	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