Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase B' and Ligand = 'BDBM286525'   

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 B (Homo sapiens (Human))	BDBM286525 (US9566312, Compound 2.5.6) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)CN2C[C@H](C)OC[C@@H]2C)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H122N12O13/c1-27-29-30-42(13)57(81)56-61(85)71-49(28-2)64(88)73(20)48(19)63(87)78(25)55(43(14)34-80-35-45(16)93-36-44(80)15)60(84)72-53(40(9)10)67(91)74(21)50(31-37(3)4)59(83)69-46(17)58(82)70-47(18)62(86)75(22)51(32-38(5)6)65(89)76(23)52(33-39(7)8)66(90)77(24)54(41(11)12)68(92)79(56)26/h27,29,37-57,81H,28,30-36H2,1-26H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b29-27+/t42-,43-,44+,45+,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2.70	n/a	n/a	n/a	7.4	n/a
Novartis AG US Patent					Assay Description Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro...				US Patent US9566312 (2017) BindingDB Entry DOI: 10.7270/Q2K939J1
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