Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50067003'   

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))	BDBM50067003 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1cccnc1 Show InChI InChI=1S/C21H30N2O4/c1-4-21(2,3)18(24)19(25)23-13-6-5-11-17(23)20(26)27-14-8-10-16-9-7-12-22-15-16/h7,9,12,15,17H,4-6,8,10-11,13-14H2,1-3H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description The compound was tested for binding affinity against rotamase				J Med Chem 41: 3928-39 (1998) Article DOI: 10.1021/jm980062o BindingDB Entry DOI: 10.7270/Q2SB44W1
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50067003 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1cccnc1 Show InChI InChI=1S/C21H30N2O4/c1-4-21(2,3)18(24)19(25)23-13-6-5-11-17(23)20(26)27-14-8-10-16-9-7-12-22-15-16/h7,9,12,15,17H,4-6,8,10-11,13-14H2,1-3H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description The compound was tested for binding affinity against rotamase				J Med Chem 41: 3928-39 (1998) Article DOI: 10.1021/jm980062o BindingDB Entry DOI: 10.7270/Q2SB44W1
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50067003 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1cccnc1 Show InChI InChI=1S/C21H30N2O4/c1-4-21(2,3)18(24)19(25)23-13-6-5-11-17(23)20(26)27-14-8-10-16-9-7-12-22-15-16/h7,9,12,15,17H,4-6,8,10-11,13-14H2,1-3H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP12 by fluorescence polarization assay				J Med Chem 55: 4114-22 (2012) Article DOI: 10.1021/jm201746x BindingDB Entry DOI: 10.7270/Q2KS6SMP
					More data for this Ligand-Target Pair