Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM23339'   

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))	BDBM23339 (1-{6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.0...) Show SMILES COc1ccc2C3C4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:31.6.29| Show InChI InChI=1S/C27H30N2O7/c1-33-17-8-9-18-15(12-17)10-11-28-23(18)19-6-5-7-20(26(28)31)29(19)27(32)24(30)16-13-21(34-2)25(36-4)22(14-16)35-3/h8-9,12-14,19-20,23H,5-7,10-11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	143	-37.8	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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