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BDBM50095910 CHEMBL3590314

SMILES: [H][C@]12CCCCN1C(=O)[C@@H](CCC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cc3cc(c1)C(=O)NC[C@]([H])(NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc4ccccc4c1)NC2=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CNC3=O)C(=O)N[C@@H](CCCCN)C(O)=O)[C@@H](C)CC

InChI Key: InChIKey=GHWVUFINSTUUTL-KFMLXFHDSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50095910   
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 NIMA-interacting 1


(Homo sapiens (Human))		BDBM50095910
PNG
(CHEMBL3590314)
Show SMILES [H][C@]12CCCCN1C(=O)[C@@H](CCC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cc3cc(c1)C(=O)NC[C@]([H])(NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc4ccccc4c1)NC2=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CNC3=O)C(=O)N[C@@H](CCCCN)C(O)=O)[C@@H](C)CC
Show InChI InChI=1S/C23H27N7O4/c1-3-25-22(33)19-17(31)18(32)23(34-19)30-13-26-16-20(24)27-15(28-21(16)30)10-12-29(2)11-9-14-7-5-4-6-8-14/h4-8,13,17-19,23,31-32H,3,9,11H2,1-2H3,(H,25,33)(H2,24,27,28)/t17-,18+,19+,23?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/a 125n/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal MBP fused and Texas-red-labeled full-length human Pin1 S16A/Y23A mutant expressed in Escherichia coli assessed as incr...

J Med Chem 58: 6306-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00411
BindingDB Entry DOI: 10.7270/Q2T72K6Z
More data for this
Ligand-Target Pair