Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Ligand
BDBM50234005
Substrate
n/a
Meas. Tech.
ChEMBL_1651957 (CHEMBL4001212)
IC50
9600±n/a nM
Citation
 Li, K; Li, L; Wang, S; Li, X; Ma, T; Liu, D; Jing, Y; Zhao, L Design and synthesis of novel 2-substituted 11-keto-boswellic acid heterocyclic derivatives as anti-prostate cancer agents with Pin1 inhibition ability. Eur J Med Chem 126:910-919 (2017) [PubMed]  Article 
Target
Name:
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Synonyms:
PIN1 | PIN1_HUMAN | PPIase Pin1 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Type:
PROTEIN
Mol. Mass.:
18248.11
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1502595
Residue:
163
Sequence:
MADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
  
Inhibitor
Name:
BDBM50234005
Synonyms:
CHEMBL4095620
Type:
Small organic molecule
Emp. Form.:
C35H49F3N2O3
Mol. Mass.:
602.7704
SMILES:
[H][C@@]12CC[C@]3(C)[C@]([H])(C(=O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)C=C(C(=O)[C@]2(C)C(=O)N1CCNCC1)C(F)(F)F |r,c:32,t:10|
Structure:
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