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BDBM50369817 CHEMBL1793897

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)NC1(CCCC1)C(=O)N[C@@H](C)C(N)=O

InChI Key: InChIKey=YHDALKZPBBZCRM-DYJOPPPLSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50369817   
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
Cyclophilin A


(Homo sapiens (Human))
BDBM50369817
PNG
(CHEMBL1793897)
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)NC1(CCCC1)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C32H50N10O8/c1-17(2)25(39-20(5)43)30(49)40-22(13-21-14-34-16-36-21)28(47)37-19(4)27(46)35-15-24(44)42-12-8-9-23(42)29(48)41-32(10-6-7-11-32)31(50)38-18(3)26(33)45/h14,16-19,22-23,25H,6-13,15H2,1-5H3,(H2,33,45)(H,34,36)(H,35,46)(H,37,47)(H,38,50)(H,39,43)(H,40,49)(H,41,48)/t18-,19-,22-,23-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.80E+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


Citation and Details
More data for this
Ligand-Target Pair