Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 5868   

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
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50221566 (4-chloro-3-(5-methyl-3-(4-(2-(pyrrolidin-1-yl)etho...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C26H26ClN5O2/c1-17-14-18(22-16-20(33)6-9-23(22)27)15-24-25(17)29-26(31-30-24)28-19-4-7-21(8-5-19)34-13-12-32-10-2-3-11-32/h4-9,14-16,33H,2-3,10-13H2,1H3,(H,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	15.9	n/a	n/a	n/a	n/a	n/a	37
TargeGen, Inc. US Patent					Assay Description Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.				US Patent US8481536 (2013) BindingDB Entry DOI: 10.7270/Q2GB22PZ
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50221553 (4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C26H27ClN6O3S/c1-17-14-18(22-16-20(34)6-9-23(22)27)15-24-25(17)30-26(32-31-24)29-19-4-7-21(8-5-19)37(35,36)28-10-13-33-11-2-3-12-33/h4-9,14-16,28,34H,2-3,10-13H2,1H3,(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	30.8	n/a	n/a	n/a	n/a	n/a	37
TargeGen, Inc. US Patent					Assay Description Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.				US Patent US8481536 (2013) BindingDB Entry DOI: 10.7270/Q2GB22PZ
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50198782 (([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	37
TargeGen, Inc. US Patent					Assay Description Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.				US Patent US8481536 (2013) BindingDB Entry DOI: 10.7270/Q2GB22PZ
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM97982 (US8481536, 574) Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCC4CCCC4)cc3)nnc2c1 Show InChI InChI=1S/C29H32N4O/c1-19-7-6-8-20(2)27(19)23-17-21(3)28-26(18-23)32-33-29(31-28)30-24-11-13-25(14-12-24)34-16-15-22-9-4-5-10-22/h6-8,11-14,17-18,22H,4-5,9-10,15-16H2,1-3H3,(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	37
TargeGen, Inc. US Patent					Assay Description Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.				US Patent US8481536 (2013) BindingDB Entry DOI: 10.7270/Q2GB22PZ
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50198813 (7-(2-chlorophenyl)-5-methyl-N-(4-(2-(pyrrolidin-1-...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1Cl Show InChI InChI=1S/C26H26ClN5O/c1-18-16-19(22-6-2-3-7-23(22)27)17-24-25(18)29-26(31-30-24)28-20-8-10-21(11-9-20)33-15-14-32-12-4-5-13-32/h2-3,6-11,16-17H,4-5,12-15H2,1H3,(H,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	37
TargeGen, Inc. US Patent					Assay Description Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.				US Patent US8481536 (2013) BindingDB Entry DOI: 10.7270/Q2GB22PZ
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM97841 (US8481536, 383 | US8481536, 583) Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2c(C)cccc2C)cc1 Show InChI InChI=1S/C28H30N6O/c1-18-6-5-7-19(2)25(18)22-16-20(3)26-24(17-22)31-32-28(30-26)29-23-10-8-21(9-11-23)27(35)34-14-12-33(4)13-15-34/h5-11,16-17H,12-15H2,1-4H3,(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	37
TargeGen, Inc. US Patent					Assay Description Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.				US Patent US8481536 (2013) BindingDB Entry DOI: 10.7270/Q2GB22PZ
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM97863 (US8481536, 411 | US8481536, 589) Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3nc(cs3)C(=O)NCCN3CCCC3)nnc2c1 Show InChI InChI=1S/C26H29N7OS/c1-16-7-6-8-17(2)22(16)19-13-18(3)23-20(14-19)31-32-25(29-23)30-26-28-21(15-35-26)24(34)27-9-12-33-10-4-5-11-33/h6-8,13-15H,4-5,9-12H2,1-3H3,(H,27,34)(H,28,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	66.1	n/a	n/a	n/a	n/a	n/a	37
TargeGen, Inc. US Patent					Assay Description Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.				US Patent US8481536 (2013) BindingDB Entry DOI: 10.7270/Q2GB22PZ
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM97860 (US8481536, 407 | US8481536, 587) Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(o3)C(=O)NCCN3CCCC3)nnc2c1 Show InChI InChI=1S/C27H30N6O2/c1-17-7-6-8-18(2)24(17)20-15-19(3)25-21(16-20)31-32-27(30-25)29-23-10-9-22(35-23)26(34)28-11-14-33-12-4-5-13-33/h6-10,15-16H,4-5,11-14H2,1-3H3,(H,28,34)(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	68.7	n/a	n/a	n/a	n/a	n/a	37
TargeGen, Inc. US Patent					Assay Description Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.				US Patent US8481536 (2013) BindingDB Entry DOI: 10.7270/Q2GB22PZ
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50198817 (4-(7-(2,6-dimethylphenyl)-5-methylbenzo[e][1,2,4]t...) Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nnc2c1 Show InChI InChI=1S/C28H32N6O2S/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)32-33-28(31-27)30-23-9-11-24(12-10-23)37(35,36)29-13-16-34-14-4-5-15-34/h6-12,17-18,29H,4-5,13-16H2,1-3H3,(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	73.7	n/a	n/a	n/a	n/a	n/a	37
TargeGen, Inc. US Patent					Assay Description Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.				US Patent US8481536 (2013) BindingDB Entry DOI: 10.7270/Q2GB22PZ
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50198791 (7-(2,6-dimethylphenyl)-5-methyl-N-(2-(2-(pyrrolidi...) Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccnc(OCCN4CCCC4)c3)nnc2c1 Show InChI InChI=1S/C27H30N6O/c1-18-7-6-8-19(2)25(18)21-15-20(3)26-23(16-21)31-32-27(30-26)29-22-9-10-28-24(17-22)34-14-13-33-11-4-5-12-33/h6-10,15-17H,4-5,11-14H2,1-3H3,(H,28,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	37
TargeGen, Inc. US Patent					Assay Description Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.				US Patent US8481536 (2013) BindingDB Entry DOI: 10.7270/Q2GB22PZ
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50198805 (5-methyl-7-phenyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1 Show InChI InChI=1S/C26H27N5O/c1-19-17-21(20-7-3-2-4-8-20)18-24-25(19)28-26(30-29-24)27-22-9-11-23(12-10-22)32-16-15-31-13-5-6-14-31/h2-4,7-12,17-18H,5-6,13-16H2,1H3,(H,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	391	n/a	n/a	n/a	n/a	n/a	37
TargeGen, Inc. US Patent					Assay Description Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.				US Patent US8481536 (2013) BindingDB Entry DOI: 10.7270/Q2GB22PZ
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM98005 (US8481536, 616) Show SMILES Oc1ccc(Nc2nnc3cc(ccc3n2)-c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C19H12Cl2N4O/c20-14-2-1-3-15(21)18(14)11-4-9-16-17(10-11)24-25-19(23-16)22-12-5-7-13(26)8-6-12/h1-10,26H,(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	596	n/a	n/a	n/a	n/a	n/a	37
TargeGen, Inc. US Patent					Assay Description Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.				US Patent US8481536 (2013) BindingDB Entry DOI: 10.7270/Q2GB22PZ
					More data for this Ligand-Target Pair