Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase A' and Ligand = 'BDBM85119'   

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))	BDBM85119 (Cyclophilin Inhibitor, 3e) Show SMILES COC(=O)[C@H](CCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:34| Show InChI InChI=1S/C30H38N2O6S/c1-30(2)18-19(33)16-23-24(30)17-26(34)28(23)22(29(35)38-5)10-6-7-15-31-39(36,37)27-14-9-11-20-21(27)12-8-13-25(20)32(3)4/h8-9,11-14,16,22,24,28,31H,6-7,10,15,17-18H2,1-5H3/t22-,24?,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.07E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to PPIase in vitro assay. The PPIase assay assesses the abil9ity of l...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85119 (Cyclophilin Inhibitor, 3e) Show SMILES COC(=O)[C@H](CCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:34| Show InChI InChI=1S/C30H38N2O6S/c1-30(2)18-19(33)16-23-24(30)17-26(34)28(23)22(29(35)38-5)10-6-7-15-31-39(36,37)27-14-9-11-20-21(27)12-8-13-25(20)32(3)4/h8-9,11-14,16,22,24,28,31H,6-7,10,15,17-18H2,1-5H3/t22-,24?,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.13E+5	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description Electrospray mass spectrometry assay is a immunophilin-ligand binding assay which allows us to rapidly probe the affinity of potential inhibitors for...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85119 (Cyclophilin Inhibitor, 3e) Show SMILES COC(=O)[C@H](CCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:34| Show InChI InChI=1S/C30H38N2O6S/c1-30(2)18-19(33)16-23-24(30)17-26(34)28(23)22(29(35)38-5)10-6-7-15-31-39(36,37)27-14-9-11-20-21(27)12-8-13-25(20)32(3)4/h8-9,11-14,16,22,24,28,31H,6-7,10,15,17-18H2,1-5H3/t22-,24?,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.19E+4	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to fluorescence in vitro assay. The fluorescence assay takes advantag...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair