Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP4' and Ligand = 'BDBM50118072'   

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 FKBP4 (Homo sapiens (Human))	BDBM50118072 (CHEMBL126876 | [(2-Acetylamino-propionylamino)-met...) Show SMILES CCOP(=O)(CNC(=O)[C@H](C)NC(C)=O)N1CCCC1C(=O)N[C@H](CNc1ccc(cc1)[N+]([O-])=O)Cc1ccccc1 Show InChI InChI=1S/C28H39N6O7P/c1-4-41-42(40,19-30-27(36)20(2)31-21(3)35)33-16-8-11-26(33)28(37)32-24(17-22-9-6-5-7-10-22)18-29-23-12-14-25(15-13-23)34(38)39/h5-7,9-10,12-15,20,24,26,29H,4,8,11,16-19H2,1-3H3,(H,30,36)(H,31,35)(H,32,37)/t20-,24-,26?,42?/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	PubMed	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a
D�partement d'Ing�nierie et d'Etudes des Prot�ines Curated by ChEMBL					Assay Description The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase				J Med Chem 45: 3928-33 (2002) BindingDB Entry DOI: 10.7270/Q2CZ37WC
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4 (Homo sapiens (Human))	BDBM50118072 (CHEMBL126876 | [(2-Acetylamino-propionylamino)-met...) Show SMILES CCOP(=O)(CNC(=O)[C@H](C)NC(C)=O)N1CCCC1C(=O)N[C@H](CNc1ccc(cc1)[N+]([O-])=O)Cc1ccccc1 Show InChI InChI=1S/C28H39N6O7P/c1-4-41-42(40,19-30-27(36)20(2)31-21(3)35)33-16-8-11-26(33)28(37)32-24(17-22-9-6-5-7-10-22)18-29-23-12-14-25(15-13-23)34(38)39/h5-7,9-10,12-15,20,24,26,29H,4,8,11,16-19H2,1-3H3,(H,30,36)(H,31,35)(H,32,37)/t20-,24-,26?,42?/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	PubMed	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a
D�partement d'Ing�nierie et d'Etudes des Prot�ines Curated by ChEMBL					Assay Description The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase				J Med Chem 45: 3928-33 (2002) BindingDB Entry DOI: 10.7270/Q2CZ37WC
					More data for this Ligand-Target Pair