Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'florance' and Initial = 'h'   

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 A (Homo sapiens (Human))	BDBM85116 (Cyclophilin Inhibitor, 15 | Cyclophilin Inhibitor,...) Show SMILES COC(=O)[C@H](CCCCN)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:16| Show InChI InChI=1S/C18H27NO4/c1-18(2)10-11(20)8-13-14(18)9-15(21)16(13)12(17(22)23-3)6-4-5-7-19/h8,12,14,16H,4-7,9-10,19H2,1-3H3/t12-,14?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to PPIase in vitro assay. The PPIase assay assesses the abil9ity of l...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85118 (Cyclophilin Inhibitor, 3d) Show SMILES COC(=O)[C@H](CCCCNC(C)=O)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:19| Show InChI InChI=1S/C20H29NO5/c1-12(22)21-8-6-5-7-14(19(25)26-4)18-15-9-13(23)11-20(2,3)16(15)10-17(18)24/h9,14,16,18H,5-8,10-11H2,1-4H3,(H,21,22)/t14-,16?,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to PPIase in vitro assay. The PPIase assay assesses the abil9ity of l...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85117 (Cyclophilin Inhibitor, 3c) Show SMILES COC(=O)[C@H](CCCN=C(N)NN(=O)=O)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,w:8.7,t:21| Show InChI InChI=1S/C18H26N4O6/c1-18(2)9-10(23)7-12-13(18)8-14(24)15(12)11(16(25)28-3)5-4-6-20-17(19)21-22(26)27/h7,11,13,15H,4-6,8-9H2,1-3H3,(H3,19,20,21)/t11-,13?,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to PPIase in vitro assay. The PPIase assay assesses the abil9ity of l...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85115 (Cyclophilin Inhibitor, 3a) Show SMILES COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:27| Show InChI InChI=1S/C26H33NO6/c1-26(2)15-18(28)13-20-21(26)14-22(29)23(20)19(24(30)32-3)11-7-8-12-27-25(31)33-16-17-9-5-4-6-10-17/h4-6,9-10,13,19,21,23H,7-8,11-12,14-16H2,1-3H3,(H,27,31)/t19-,21?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to PPIase in vitro assay. The PPIase assay assesses the abil9ity of l...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85116 (Cyclophilin Inhibitor, 15 | Cyclophilin Inhibitor,...) Show SMILES COC(=O)[C@H](CCCCN)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:16| Show InChI InChI=1S/C18H27NO4/c1-18(2)10-11(20)8-13-14(18)9-15(21)16(13)12(17(22)23-3)6-4-5-7-19/h8,12,14,16H,4-7,9-10,19H2,1-3H3/t12-,14?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to PPIase in vitro assay. The PPIase assay assesses the abil9ity of l...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85119 (Cyclophilin Inhibitor, 3e) Show SMILES COC(=O)[C@H](CCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:34| Show InChI InChI=1S/C30H38N2O6S/c1-30(2)18-19(33)16-23-24(30)17-26(34)28(23)22(29(35)38-5)10-6-7-15-31-39(36,37)27-14-9-11-20-21(27)12-8-13-25(20)32(3)4/h8-9,11-14,16,22,24,28,31H,6-7,10,15,17-18H2,1-5H3/t22-,24?,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.07E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to PPIase in vitro assay. The PPIase assay assesses the abil9ity of l...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85116 (Cyclophilin Inhibitor, 15 | Cyclophilin Inhibitor,...) Show SMILES COC(=O)[C@H](CCCCN)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:16| Show InChI InChI=1S/C18H27NO4/c1-18(2)10-11(20)8-13-14(18)9-15(21)16(13)12(17(22)23-3)6-4-5-7-19/h8,12,14,16H,4-7,9-10,19H2,1-3H3/t12-,14?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.59E+4	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to fluorescence in vitro assay. The fluorescence assay takes advantag...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85117 (Cyclophilin Inhibitor, 3c) Show SMILES COC(=O)[C@H](CCCN=C(N)NN(=O)=O)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,w:8.7,t:21| Show InChI InChI=1S/C18H26N4O6/c1-18(2)9-10(23)7-12-13(18)8-14(24)15(12)11(16(25)28-3)5-4-6-20-17(19)21-22(26)27/h7,11,13,15H,4-6,8-9H2,1-3H3,(H3,19,20,21)/t11-,13?,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.96E+4	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to fluorescence in vitro assay. The fluorescence assay takes advantag...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85119 (Cyclophilin Inhibitor, 3e) Show SMILES COC(=O)[C@H](CCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:34| Show InChI InChI=1S/C30H38N2O6S/c1-30(2)18-19(33)16-23-24(30)17-26(34)28(23)22(29(35)38-5)10-6-7-15-31-39(36,37)27-14-9-11-20-21(27)12-8-13-25(20)32(3)4/h8-9,11-14,16,22,24,28,31H,6-7,10,15,17-18H2,1-5H3/t22-,24?,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.19E+4	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to fluorescence in vitro assay. The fluorescence assay takes advantag...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85116 (Cyclophilin Inhibitor, 15 | Cyclophilin Inhibitor,...) Show SMILES COC(=O)[C@H](CCCCN)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:16| Show InChI InChI=1S/C18H27NO4/c1-18(2)10-11(20)8-13-14(18)9-15(21)16(13)12(17(22)23-3)6-4-5-7-19/h8,12,14,16H,4-7,9-10,19H2,1-3H3/t12-,14?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to fluorescence in vitro assay. The fluorescence assay takes advantag...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85115 (Cyclophilin Inhibitor, 3a) Show SMILES COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:27| Show InChI InChI=1S/C26H33NO6/c1-26(2)15-18(28)13-20-21(26)14-22(29)23(20)19(24(30)32-3)11-7-8-12-27-25(31)33-16-17-9-5-4-6-10-17/h4-6,9-10,13,19,21,23H,7-8,11-12,14-16H2,1-3H3,(H,27,31)/t19-,21?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.28E+4	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to fluorescence in vitro assay. The fluorescence assay takes advantag...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85120 (Cyclophilin Inhibitor, 3f) Show SMILES COC(=O)[C@H](CCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C)C1C(=O)C[C@@H]2C1=CC(=O)CC2(C)C |r,t:34| Show InChI InChI=1S/C30H38N2O6S/c1-30(2)18-19(33)16-23-24(30)17-26(34)28(23)22(29(35)38-5)10-6-7-15-31-39(36,37)27-14-9-11-20-21(27)12-8-13-25(20)32(3)4/h8-9,11-14,16,22,24,28,31H,6-7,10,15,17-18H2,1-5H3/t22-,24-,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description Electrospray mass spectrometry assay is a immunophilin-ligand binding assay which allows us to rapidly probe the affinity of potential inhibitors for...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85119 (Cyclophilin Inhibitor, 3e) Show SMILES COC(=O)[C@H](CCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:34| Show InChI InChI=1S/C30H38N2O6S/c1-30(2)18-19(33)16-23-24(30)17-26(34)28(23)22(29(35)38-5)10-6-7-15-31-39(36,37)27-14-9-11-20-21(27)12-8-13-25(20)32(3)4/h8-9,11-14,16,22,24,28,31H,6-7,10,15,17-18H2,1-5H3/t22-,24?,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.13E+5	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description Electrospray mass spectrometry assay is a immunophilin-ligand binding assay which allows us to rapidly probe the affinity of potential inhibitors for...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85118 (Cyclophilin Inhibitor, 3d) Show SMILES COC(=O)[C@H](CCCCNC(C)=O)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:19| Show InChI InChI=1S/C20H29NO5/c1-12(22)21-8-6-5-7-14(19(25)26-4)18-15-9-13(23)11-20(2,3)16(15)10-17(18)24/h9,14,16,18H,5-8,10-11H2,1-4H3,(H,21,22)/t14-,16?,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.51E+4	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description Electrospray mass spectrometry assay is a immunophilin-ligand binding assay which allows us to rapidly probe the affinity of potential inhibitors for...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85117 (Cyclophilin Inhibitor, 3c) Show SMILES COC(=O)[C@H](CCCN=C(N)NN(=O)=O)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,w:8.7,t:21| Show InChI InChI=1S/C18H26N4O6/c1-18(2)9-10(23)7-12-13(18)8-14(24)15(12)11(16(25)28-3)5-4-6-20-17(19)21-22(26)27/h7,11,13,15H,4-6,8-9H2,1-3H3,(H3,19,20,21)/t11-,13?,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.19E+4	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description Electrospray mass spectrometry assay is a immunophilin-ligand binding assay which allows us to rapidly probe the affinity of potential inhibitors for...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85115 (Cyclophilin Inhibitor, 3a) Show SMILES COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:27| Show InChI InChI=1S/C26H33NO6/c1-26(2)15-18(28)13-20-21(26)14-22(29)23(20)19(24(30)32-3)11-7-8-12-27-25(31)33-16-17-9-5-4-6-10-17/h4-6,9-10,13,19,21,23H,7-8,11-12,14-16H2,1-3H3,(H,27,31)/t19-,21?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.28E+5	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description Electrospray mass spectrometry assay is a immunophilin-ligand binding assay which allows us to rapidly probe the affinity of potential inhibitors for...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85116 (Cyclophilin Inhibitor, 15 | Cyclophilin Inhibitor,...) Show SMILES COC(=O)[C@H](CCCCN)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:16| Show InChI InChI=1S/C18H27NO4/c1-18(2)10-11(20)8-13-14(18)9-15(21)16(13)12(17(22)23-3)6-4-5-7-19/h8,12,14,16H,4-7,9-10,19H2,1-3H3/t12-,14?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.26E+4	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description Electrospray mass spectrometry assay is a immunophilin-ligand binding assay which allows us to rapidly probe the affinity of potential inhibitors for...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair