BDBM50095936 CHEMBL3590367

SMILES [H][C@]12CCCCN1C(=O)[C@]([H])(NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=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)O

InChI Key InChIKey=ZYQCLNAQWLOZJU-LJEUNREKSA-N

Data  1 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50095936   

TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 4(Homo sapiens (Human))
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50095936(CHEMBL3590367)
Affinity DataIC50:  3.40E+4nMAssay Description:Inhibition of Pin4 (unknown origin) pre-incubated for 10 mins before addition of Suc-Ala-Glu-Pro-Phe-pNA substrate in presence of alpha-chymotrypsin ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Homo sapiens (Human))
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50095936(CHEMBL3590367)
Affinity DataKd:  120nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlbumin(Bos taurus)
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50095936(CHEMBL3590367)
Affinity DataKd:  2.00E+4nMAssay Description:Binding affinity to bovine serum albuminMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed