Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM23348'   

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))	BDBM23348 (1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...) Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(OC)c(OC)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.29| Show InChI InChI=1S/C27H30N2O7/c1-33-17-12-15-10-11-28-24(23(15)22(14-17)36-4)18-6-5-7-19(26(28)31)29(18)27(32)25(30)16-8-9-20(34-2)21(13-16)35-3/h8-9,12-14,18-19,24H,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 Similars	Article PubMed	60	-39.8	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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