Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM23359'   

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 FKBP1A (Homo sapiens (Human))	BDBM23359 (1-(2,4-dichlorophenyl)-2-{4,6-dimethoxy-12-oxo-11,...) Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Cl)cc4Cl)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27| Show InChI InChI=1S/C25H24Cl2N2O5/c1-33-15-10-13-8-9-28-22(21(13)20(12-15)34-2)18-4-3-5-19(24(28)31)29(18)25(32)23(30)16-7-6-14(26)11-17(16)27/h6-7,10-12,18-19,22H,3-5,8-9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	586	-34.4	n/a	n/a	n/a	n/a	n/a	8.0	15
Pfizer					Assay Description PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...				J Med Chem 49: 1202-6 (2006) Article DOI: 10.1021/jm049161u BindingDB Entry DOI: 10.7270/Q2BR8QG9
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