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BDBM50087882 1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3-(3H-imidazol-4-yl)-propionylamino]-propionylamino}-acetyl)-pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-ethylcarbamoyl)-2-methyl-butyl]-amide::CHEMBL52165

SMILES: CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](C)C(N)=O

InChI Key: InChIKey=WNYJDCFTKYZIGA-AWYJHJMQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087882   
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))		BDBM50087882
PNG
(1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3...)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C32H52N10O8/c1-8-17(4)26(32(50)37-18(5)27(33)45)41-30(48)23-10-9-11-42(23)24(44)14-35-28(46)19(6)38-29(47)22(12-21-13-34-15-36-21)40-31(49)25(16(2)3)39-20(7)43/h13,15-19,22-23,25-26H,8-12,14H2,1-7H3,(H2,33,45)(H,34,36)(H,35,46)(H,37,50)(H,38,47)(H,39,43)(H,40,49)(H,41,48)/t17-,18-,19+,22+,23+,25+,26-/m1/s1
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Similars
PubMed
n/an/a 8.50E+5n/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