Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1' and Ligand = 'BDBM50184840'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50184840 (Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Thi-Thr(PO3H2)...) Show SMILES C[C@H](OP(O)(O)=O)[C@H](NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(C)=O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O Show InChI InChI=1S/C57H82N13O16PS2/c1-30(62-53(78)40(63-34(5)71)17-11-12-24-60-46(73)19-10-9-18-44-48-43(29-89-44)67-57(82)69-48)50(75)61-31(2)51(76)65-42(28-38-16-13-25-88-38)55(80)68-47(33(4)86-87(83,84)85)56(81)70(6)32(3)52(77)66-41(54(79)64-39(49(59)74)22-23-45(58)72)27-35-20-21-36-14-7-8-15-37(36)26-35/h7-8,13-16,20-21,25-26,30-33,39-44,47-48H,9-12,17-19,22-24,27-29H2,1-6H3,(H2,58,72)(H2,59,74)(H,60,73)(H,61,75)(H,62,78)(H,63,71)(H,64,79)(H,65,76)(H,66,77)(H,68,80)(H2,67,69,82)(H2,83,84,85)/t30-,31-,32-,33-,39-,40-,41-,42-,43-,44-,47-,48-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of human Pin1 PPIase Activity by protease free PPIase assay				J Med Chem 49: 2147-50 (2006) Article DOI: 10.1021/jm060036n BindingDB Entry DOI: 10.7270/Q2S46RJP
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