Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase A' and Ligand = 'BDBM285717'   

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 A (Homo sapiens (Human))	BDBM285717 (US10077289, Compound 25 | [(2S,3R,4R)-3-Hydroxy-4-...) Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCCc2ccn(C)n2)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](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H117N13O12/c1-26-47-62(87)73(19)45(17)61(86)74(20)49(33-37(4)5)58(83)70-52(40(10)11)65(90)75(21)48(32-36(2)3)57(82)67-43(15)56(81)68-44(16)60(85)76(22)50(34-38(6)7)63(88)77(23)51(35-39(8)9)64(89)78(24)53(41(12)13)66(91)79(25)54(59(84)69-47)55(80)42(14)28-27-29-46-30-31-72(18)71-46/h30-31,36-45,47-55,80H,26-29,32-35H2,1-25H3,(H,67,82)(H,68,81)(H,69,84)(H,70,83)/t42-,43?,44?,45-,47?,48?,49+,50?,51?,52?,53?,54-,55-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.80	n/a	n/a	n/a	n/a	n/a	n/a	7.8	n/a
Allergan, Inc. US Patent					Assay Description The protease-free PPIase assay measures the rate of cis to trans conversion of a peptide substrate catalyzed by the enzyme cyclophilin A. Addition of...				US Patent US10077289 (2018) BindingDB Entry DOI: 10.7270/Q25B04JF
					More data for this Ligand-Target Pair