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BDBM50087866 1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3-(3H-imidazol-4-yl)-propionylamino]-propionylamino}-acetyl)-pyrrolidine-2-carboxylic acid [(1-carbamoyl-ethylcarbamoyl)-methyl]-amide::CHEMBL433082

SMILES: CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C)C(N)=O

InChI Key: InChIKey=XCAWBIUNEPUWMR-CNMUXDRCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087866   
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
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM50087866
PNG
(1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C28H44N10O8/c1-14(2)23(36-17(5)39)28(46)37-19(9-18-10-30-13-33-18)26(44)35-16(4)25(43)32-12-22(41)38-8-6-7-20(38)27(45)31-11-21(40)34-15(3)24(29)42/h10,13-16,19-20,23H,6-9,11-12H2,1-5H3,(H2,29,42)(H,30,33)(H,31,45)(H,32,43)(H,34,40)(H,35,44)(H,36,39)(H,37,46)/t15-,16+,19+,20+,23+/m1/s1
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PubMed
n/an/a 2.80E+6n/an/an/an/an/an/a



D�partement D'Ing�nierie et D'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
50% inhibitory concentration of competitive binding against human Peptidyl-prolyl isomerase activity using uncoupled assay

J Med Chem 43: 1770-9 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ9135
More data for this
Ligand-Target Pair