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BDBM50089749 CHEMBL3577433

SMILES: CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CC1)NC(=O)N[C@@H](CCCCN)C(O)=O

InChI Key: InChIKey=PFLUEQHIMCTTNI-PPFFOOAHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50089749   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Carboxypeptidase B2 isoform A


(Homo sapiens (Human))		BDBM50089749
PNG
(CHEMBL3577433)
Show SMILES CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r,TLB:10:9:1:5.4|
Show InChI InChI=1S/C23H40N4O4/c1-22(2)15-9-10-23(22,3)13-18(15)25-19(28)17(12-14-7-8-14)27-21(31)26-16(20(29)30)6-4-5-11-24/h14-18H,4-13,24H2,1-3H3,(H,25,28)(H,29,30)(H2,26,27,31)/t15?,16-,17+,18?,23?/m0/s1
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Similars
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI incubated for 15 mins by microtiter plate reader based assay

J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair