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BDBM50087868 1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3-(3H-imidazol-4-yl)-propionylamino]-2-methyl-propionylamino}-acetyl)-pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-ethylcarbamoyl)-2-methyl-butyl]-amide::CHEMBL300523

SMILES: CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(C)(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=GRCALQNFMHIUCZ-IKKXRCJFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087868   
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))		BDBM50087868
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(C)(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/C33H54N10O8/c1-9-18(4)26(31(50)38-19(5)27(34)46)41-29(48)23-11-10-12-43(23)24(45)15-36-32(51)33(7,8)42-28(47)22(13-21-14-35-16-37-21)40-30(49)25(17(2)3)39-20(6)44/h14,16-19,22-23,25-26H,9-13,15H2,1-8H3,(H2,34,46)(H,35,37)(H,36,51)(H,38,50)(H,39,44)(H,40,49)(H,41,48)(H,42,47)/t18-,19-,22+,23+,25+,26-/m1/s1
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PubMed
n/an/a 7.60E+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