Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'granger' and Initial = 'ba'   

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))	BDBM50198900 (CHEMBL3957445) Show SMILES CCCCCCC(=O)N[C@]1(C)COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O |r| Show InChI InChI=1S/C25H42N4O8/c1-3-4-5-6-11-20(30)28-25(2)17-37-14-8-7-13-36-16-18(23(33)34)27-22(32)19-10-9-12-29(19)21(31)15-26-24(25)35/h18-19H,3-17H2,1-2H3,(H,26,35)(H,27,32)(H,28,30)(H,33,34)/t18-,19-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay				Bioorg Med Chem Lett 26: 5304-5307 (2016) Article DOI: 10.1016/j.bmcl.2016.09.039 BindingDB Entry DOI: 10.7270/Q2TX3HCN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50198901 (CHEMBL3982549) Show SMILES Cl.C[C@]1(COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O)NCc1ccccc1 |r| Show InChI InChI=1S/C25H36N4O7.ClH/c1-25(27-14-18-8-3-2-4-9-18)17-36-13-6-5-12-35-16-19(23(32)33)28-22(31)20-10-7-11-29(20)21(30)15-26-24(25)34;/h2-4,8-9,19-20,27H,5-7,10-17H2,1H3,(H,26,34)(H,28,31)(H,32,33);1H/t19-,20-,25+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay				Bioorg Med Chem Lett 26: 5304-5307 (2016) Article DOI: 10.1016/j.bmcl.2016.09.039 BindingDB Entry DOI: 10.7270/Q2TX3HCN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50198902 (CHEMBL3912651) Show SMILES Cl.C[C@]1(COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C26H38N4O7.ClH/c1-26(28-12-11-19-8-3-2-4-9-19)18-37-15-6-5-14-36-17-20(24(33)34)29-23(32)21-10-7-13-30(21)22(31)16-27-25(26)35;/h2-4,8-9,20-21,28H,5-7,10-18H2,1H3,(H,27,35)(H,29,32)(H,33,34);1H/t20-,21-,26+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay				Bioorg Med Chem Lett 26: 5304-5307 (2016) Article DOI: 10.1016/j.bmcl.2016.09.039 BindingDB Entry DOI: 10.7270/Q2TX3HCN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50198903 (CHEMBL3968461) Show SMILES OC(=O)C(F)(F)F.C[C@@]1(N)COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O |r| Show InChI InChI=1S/C18H30N4O7.C2HF3O2/c1-18(19)11-29-8-3-2-7-28-10-12(16(25)26)21-15(24)13-5-4-6-22(13)14(23)9-20-17(18)27;3-2(4,5)1(6)7/h12-13H,2-11,19H2,1H3,(H,20,27)(H,21,24)(H,25,26);(H,6,7)/t12-,13-,18+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.27E+5	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay				Bioorg Med Chem Lett 26: 5304-5307 (2016) Article DOI: 10.1016/j.bmcl.2016.09.039 BindingDB Entry DOI: 10.7270/Q2TX3HCN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50198904 (CHEMBL3986128) Show SMILES CC(=O)N[C@]1(C)COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O |r| Show InChI InChI=1S/C20H32N4O8/c1-13(25)23-20(2)12-32-9-4-3-8-31-11-14(18(28)29)22-17(27)15-6-5-7-24(15)16(26)10-21-19(20)30/h14-15H,3-12H2,1-2H3,(H,21,30)(H,22,27)(H,23,25)(H,28,29)/t14-,15-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay				Bioorg Med Chem Lett 26: 5304-5307 (2016) Article DOI: 10.1016/j.bmcl.2016.09.039 BindingDB Entry DOI: 10.7270/Q2TX3HCN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50198905 (CHEMBL3948790) Show SMILES C[C@]1(COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O)NC(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H32Cl2N4O8/c1-25(30-21(33)15-9-16(26)11-17(27)10-15)14-39-8-3-2-7-38-13-18(23(35)36)29-22(34)19-5-4-6-31(19)20(32)12-28-24(25)37/h9-11,18-19H,2-8,12-14H2,1H3,(H,28,37)(H,29,34)(H,30,33)(H,35,36)/t18-,19-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay				Bioorg Med Chem Lett 26: 5304-5307 (2016) Article DOI: 10.1016/j.bmcl.2016.09.039 BindingDB Entry DOI: 10.7270/Q2TX3HCN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50198911 (CHEMBL3893613) Show SMILES Cl.C[C@]1(COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O)NCCCc1ccccc1 |r| Show InChI InChI=1S/C27H40N4O7.ClH/c1-27(29-13-7-11-20-9-3-2-4-10-20)19-38-16-6-5-15-37-18-21(25(34)35)30-24(33)22-12-8-14-31(22)23(32)17-28-26(27)36;/h2-4,9-10,21-22,29H,5-8,11-19H2,1H3,(H,28,36)(H,30,33)(H,34,35);1H/t21-,22-,27+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay				Bioorg Med Chem Lett 26: 5304-5307 (2016) Article DOI: 10.1016/j.bmcl.2016.09.039 BindingDB Entry DOI: 10.7270/Q2TX3HCN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50198907 (CHEMBL3974549) Show SMILES Cl.C[C@]1(COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O)NCC1CCCCCCC1 |r| Show InChI InChI=1S/C27H46N4O7.ClH/c1-27(29-16-20-10-5-3-2-4-6-11-20)19-38-15-8-7-14-37-18-21(25(34)35)30-24(33)22-12-9-13-31(22)23(32)17-28-26(27)36;/h20-22,29H,2-19H2,1H3,(H,28,36)(H,30,33)(H,34,35);1H/t21-,22-,27+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay				Bioorg Med Chem Lett 26: 5304-5307 (2016) Article DOI: 10.1016/j.bmcl.2016.09.039 BindingDB Entry DOI: 10.7270/Q2TX3HCN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50198908 (CHEMBL3903631) Show SMILES Cl.C[C@]1(COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O)NCC1CCOCC1 |r| Show InChI InChI=1S/C24H40N4O8.ClH/c1-24(26-13-17-6-11-34-12-7-17)16-36-10-3-2-9-35-15-18(22(31)32)27-21(30)19-5-4-8-28(19)20(29)14-25-23(24)33;/h17-19,26H,2-16H2,1H3,(H,25,33)(H,27,30)(H,31,32);1H/t18-,19-,24+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay				Bioorg Med Chem Lett 26: 5304-5307 (2016) Article DOI: 10.1016/j.bmcl.2016.09.039 BindingDB Entry DOI: 10.7270/Q2TX3HCN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50118071 (CHEMBL125967 | N-[1-(2-{2-[1-(4-Nitro-phenylcarbam...) Show SMILES C[C@H](NC(=O)CCC(O)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C29H34N6O9/c1-18(31-24(36)13-14-26(38)39)27(40)30-17-25(37)34-15-5-8-23(34)29(42)33-22(16-19-6-3-2-4-7-19)28(41)32-20-9-11-21(12-10-20)35(43)44/h2-4,6-7,9-12,18,22-23H,5,8,13-17H2,1H3,(H,30,40)(H,31,36)(H,32,41)(H,33,42)(H,38,39)/t18-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	n/a	1.35E+5	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to CypA (unknown origin) by fluorescence titration method				Bioorg Med Chem Lett 26: 5304-5307 (2016) Article DOI: 10.1016/j.bmcl.2016.09.039 BindingDB Entry DOI: 10.7270/Q2TX3HCN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay				Bioorg Med Chem Lett 26: 5304-5307 (2016) Article DOI: 10.1016/j.bmcl.2016.09.039 BindingDB Entry DOI: 10.7270/Q2TX3HCN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50198909 (CHEMBL3977953) Show SMILES C[C@]1(COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O)NC(=O)C1CCC1 |r| Show InChI InChI=1S/C23H36N4O8/c1-23(26-19(29)15-6-4-7-15)14-35-11-3-2-10-34-13-16(21(31)32)25-20(30)17-8-5-9-27(17)18(28)12-24-22(23)33/h15-17H,2-14H2,1H3,(H,24,33)(H,25,30)(H,26,29)(H,31,32)/t16-,17-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay				Bioorg Med Chem Lett 26: 5304-5307 (2016) Article DOI: 10.1016/j.bmcl.2016.09.039 BindingDB Entry DOI: 10.7270/Q2TX3HCN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50198910 (CHEMBL3940015) Show SMILES Cl.C[C@]1(COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O)NCC1CCCCC1 |r| Show InChI InChI=1S/C25H42N4O7.ClH/c1-25(27-14-18-8-3-2-4-9-18)17-36-13-6-5-12-35-16-19(23(32)33)28-22(31)20-10-7-11-29(20)21(30)15-26-24(25)34;/h18-20,27H,2-17H2,1H3,(H,26,34)(H,28,31)(H,32,33);1H/t19-,20-,25+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay				Bioorg Med Chem Lett 26: 5304-5307 (2016) Article DOI: 10.1016/j.bmcl.2016.09.039 BindingDB Entry DOI: 10.7270/Q2TX3HCN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50198906 (CHEMBL3969578) Show SMILES Cl.C[C@]1(COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O)NCC1CCCC1 |r| Show InChI InChI=1S/C24H40N4O7.ClH/c1-24(26-13-17-7-2-3-8-17)16-35-12-5-4-11-34-15-18(22(31)32)27-21(30)19-9-6-10-28(19)20(29)14-25-23(24)33;/h17-19,26H,2-16H2,1H3,(H,25,33)(H,27,30)(H,31,32);1H/t18-,19-,24+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay				Bioorg Med Chem Lett 26: 5304-5307 (2016) Article DOI: 10.1016/j.bmcl.2016.09.039 BindingDB Entry DOI: 10.7270/Q2TX3HCN
					More data for this Ligand-Target Pair