Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase A' and Ligand = 'BDBM50500613'   

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))	BDBM50500613 (CHEMBL3752642) Show SMILES COc1cc(cc(OC)c1OC)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(C)C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C36H43N3O5/c1-23(2)24-15-17-28(18-16-24)39(33(40)21-26-22-37-30-14-10-9-13-29(26)30)34(36(41)38-27-11-7-6-8-12-27)25-19-31(42-3)35(44-5)32(20-25)43-4/h9-10,13-20,22-23,27,34,37H,6-8,11-12,21H2,1-5H3,(H,38,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of Cyclophilin A peptidyl-prolyl cis-trans isomerase activity (unknown origin) using Succ-Ala-Leu-Pro-Phe-p-nitroaniline as substrate by I...				J Med Chem 58: 9546-61 (2015) Article DOI: 10.1021/acs.jmedchem.5b01064 BindingDB Entry DOI: 10.7270/Q2RF5Z1V
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50500613 (CHEMBL3752642) Show SMILES COc1cc(cc(OC)c1OC)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(C)C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C36H43N3O5/c1-23(2)24-15-17-28(18-16-24)39(33(40)21-26-22-37-30-14-10-9-13-29(26)30)34(36(41)38-27-11-7-6-8-12-27)25-19-31(42-3)35(44-5)32(20-25)43-4/h9-10,13-20,22-23,27,34,37H,6-8,11-12,21H2,1-5H3,(H,38,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Binding affinity to Cyclophilin A (unknown origin) at 0.625 nM to 10 uM by surface plasmon resonance analysis				J Med Chem 58: 9546-61 (2015) Article DOI: 10.1021/acs.jmedchem.5b01064 BindingDB Entry DOI: 10.7270/Q2RF5Z1V
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50500613 (CHEMBL3752642) Show SMILES COc1cc(cc(OC)c1OC)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(C)C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C36H43N3O5/c1-23(2)24-15-17-28(18-16-24)39(33(40)21-26-22-37-30-14-10-9-13-29(26)30)34(36(41)38-27-11-7-6-8-12-27)25-19-31(42-3)35(44-5)32(20-25)43-4/h9-10,13-20,22-23,27,34,37H,6-8,11-12,21H2,1-5H3,(H,38,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Binding affinity to Cyclophilin A (unknown origin) at 0.625 nM to 10 uM by surface plasmon resonance analysis				J Med Chem 58: 9546-61 (2015) Article DOI: 10.1021/acs.jmedchem.5b01064 BindingDB Entry DOI: 10.7270/Q2RF5Z1V
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50500613 (CHEMBL3752642) Show SMILES COc1cc(cc(OC)c1OC)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(C)C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C36H43N3O5/c1-23(2)24-15-17-28(18-16-24)39(33(40)21-26-22-37-30-14-10-9-13-29(26)30)34(36(41)38-27-11-7-6-8-12-27)25-19-31(42-3)35(44-5)32(20-25)43-4/h9-10,13-20,22-23,27,34,37H,6-8,11-12,21H2,1-5H3,(H,38,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Binding affinity to Cyclophilin A (unknown origin) by surface plasmon resonance analysis				J Med Chem 58: 9546-61 (2015) Article DOI: 10.1021/acs.jmedchem.5b01064 BindingDB Entry DOI: 10.7270/Q2RF5Z1V
					More data for this Ligand-Target Pair