Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50009154   

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))	BDBM50080528 (3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...) Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 |r| Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Inhibition constant(Ki) for inhibition of PPIase activity of human FK506 binding protein 12 (Conc=14 nM) of FKBPsfamily				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4 (Homo sapiens (Human))	BDBM50080528 (3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...) Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 |r| Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.42E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Inhibition constant(Ki) for inhibition of PPIase activity of rabbit FK506 binding protein 52 (Conc=52 nM) of FKBPsfamily				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP14 (Homo sapiens (Human))	BDBM50080528 (3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...) Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 |r| Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.62E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Inhibition constant(Ki) for inhibition of PPIase activity of Photobacterium sp. FK506 binding protein 22 (Conc=41 nM) of FKBPsfamily				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP3 (Homo sapiens (Human))	BDBM50080528 (3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...) Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 |r| Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.24E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Inhibition constant(Ki) for inhibition of PPIase activity of L. pneumophilia FK506 binding protein 25 (Conc=40 nM) of FKBPsfamily				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 (Homo sapiens (Human))	BDBM50080528 (3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...) Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 |r| Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.87E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Inhibition constant(Ki) for inhibition of PPIase activity of E. coli parvulin (Conc=4 nM) of Parvulins sfamily				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50080528 (3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...) Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 |r| Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Inhibition constant(Ki) for inhibition of PPIase activity of human Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Conc=4 nM) of Parvulins fa...				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50080528 (3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...) Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 |r| Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory effect on human FK506 binding protein 12 by means of protease-coupled PPIase assay				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50080534 (CHEMBL333448 | ethyl (4-{(2R)-2-[(1S,3S,5S)-3,5-di...) Show SMILES CCOC(=O)CN1C(=O)CC(C[C@@H](O)[C@@H]2C[C@@H](C)C[C@H](C)C2=O)CC1=O Show InChI InChI=1S/C19H29NO6/c1-4-26-18(24)10-20-16(22)8-13(9-17(20)23)7-15(21)14-6-11(2)5-12(3)19(14)25/h11-15,21H,4-10H2,1-3H3/t11-,12-,14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory effect on human FK506 binding protein 12 by means of protease-coupled PPIase assay				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50080531 (2-{4-[(R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxo-cyclohe...) Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)N(CC(N)=O)C(=O)C1 Show InChI InChI=1S/C17H26N2O5/c1-9-3-10(2)17(24)12(4-9)13(20)5-11-6-15(22)19(8-14(18)21)16(23)7-11/h9-13,20H,3-8H2,1-2H3,(H2,18,21)/t9-,10-,12-,13+/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	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory effect on human FK506 binding protein 12 by means of protease-coupled PPIase assay				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50080530 (4-{4-[(R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxo-cyclohe...) Show SMILES CCOC(=O)CCCN1C(=O)CC(C[C@@H](O)[C@@H]2C[C@@H](C)C[C@H](C)C2=O)CC1=O Show InChI InChI=1S/C21H33NO6/c1-4-28-20(26)6-5-7-22-18(24)11-15(12-19(22)25)10-17(23)16-9-13(2)8-14(3)21(16)27/h13-17,23H,4-12H2,1-3H3/t13-,14-,16-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory effect on human FK506 binding protein 12 by means of protease-coupled PPIase assay				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50080532 (4-{4-[(R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxo-cyclohe...) Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)N(Cc2ccc(cc2)C#N)C(=O)C1 Show InChI InChI=1S/C23H28N2O4/c1-14-7-15(2)23(29)19(8-14)20(26)9-18-10-21(27)25(22(28)11-18)13-17-5-3-16(12-24)4-6-17/h3-6,14-15,18-20,26H,7-11,13H2,1-2H3/t14-,15-,19-,20+/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	6.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory effect on human FK506 binding protein 12 by means of protease-coupled PPIase assay				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50080535 (1-Benzyl-4-[(R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxo-c...) Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)N(Cc2ccccc2)C(=O)C1 Show InChI InChI=1S/C22H29NO4/c1-14-8-15(2)22(27)18(9-14)19(24)10-17-11-20(25)23(21(26)12-17)13-16-6-4-3-5-7-16/h3-7,14-15,17-19,24H,8-13H2,1-2H3/t14-,15-,18-,19+/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	1.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory effect on human FK506 binding protein 12 by means of protease-coupled PPIase assay				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50080527 (4-[(R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxo-cyclohexyl...) Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)N(C)C(=O)C1 Show InChI InChI=1S/C16H25NO4/c1-9-4-10(2)16(21)12(5-9)13(18)6-11-7-14(19)17(3)15(20)8-11/h9-13,18H,4-8H2,1-3H3/t9-,10-,12-,13+/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	1.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory effect on human FK506 binding protein 12 by means of protease-coupled PPIase assay				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50080536 (4-((R)-2-Hydroxy-2-{(1R,3S,5S)-2-[(Z)-hydroxyimino...) Show SMILES C[C@H]1C[C@H](C)C(N=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 Show InChI InChI=1S/C15H24N2O4/c1-8-3-9(2)15(17-21)11(4-8)12(18)5-10-6-13(19)16-14(20)7-10/h8-12,15,18H,3-7H2,1-2H3,(H,16,19,20)/t8-,9-,11-,12+,15?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.77E+5	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory effect on human FK506 binding protein 12 by means of protease-coupled PPIase assay				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50080533 (CHEMBL331865 | {4-[(R)-2-(Adamantan-1-ylcarbamoylo...) Show SMILES CCOC(=O)CN1C(=O)CC(C[C@@H](OC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)[C@@H]2C[C@@H](C)C[C@H](C)C2=O)CC1=O |TLB:24:23:26:19.18.20,24:19:26:23.25.22| Show InChI InChI=1S/C30H44N2O7/c1-4-38-27(35)16-32-25(33)11-19(12-26(32)34)10-24(23-6-17(2)5-18(3)28(23)36)39-29(37)31-30-13-20-7-21(14-30)9-22(8-20)15-30/h17-24H,4-16H2,1-3H3,(H,31,37)/t17-,18-,20-,21+,22-,23-,24+,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory effect on human FK506 binding protein 12 by means of protease-coupled PPIase assay				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50080529 (Acetic acid (R)-1-((1S,3S,5S)-3,5-dimethyl-2-oxo-c...) Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=O)NC(=O)C1)OC(C)=O Show InChI InChI=1S/C17H25NO5/c1-9-4-10(2)17(22)13(5-9)14(23-11(3)19)6-12-7-15(20)18-16(21)8-12/h9-10,12-14H,4-8H2,1-3H3,(H,18,20,21)/t9-,10-,13-,14+/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	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory effect on human FK506 binding protein 12 by means of protease-coupled PPIase assay				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair