Compile Data Set for Download or QSAR

Found 556 hits with Last Name = 'tran' and Initial = 'n'   

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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM4917 ((3Z)-3-{[3-(2-carboxyethyl)-4,5,6,7-tetrahydro-1H-...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(cc23)C(O)=O)[nH]c2CCCCc12 Show InChI InChI=1S/C21H20N2O5/c24-19(25)8-6-13-12-3-1-2-4-16(12)22-18(13)10-15-14-9-11(21(27)28)5-7-17(14)23-20(15)26/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)(H,27,28)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4915 (3-(2-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-y...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(Br)cc23)[nH]c2CCCCc12 Show InChI InChI=1S/C20H19BrN2O3/c21-11-5-7-17-14(9-11)15(20(26)23-17)10-18-13(6-8-19(24)25)12-3-1-2-4-16(12)22-18/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4900 (3-(2,4-dimethyl-5-{[(3Z)-2-oxo-6-phenyl-2,3-dihydr...) Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)c(C)c1CCC(O)=O Show InChI InChI=1S/C24H22N2O3/c1-14-18(10-11-23(27)28)15(2)25-21(14)13-20-19-9-8-17(12-22(19)26-24(20)29)16-6-4-3-5-7-16/h3-9,12-13,25H,10-11H2,1-2H3,(H,26,29)(H,27,28)/b20-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 42: 5120-30 (1999) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q20Z71GM
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM4907 ((3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmeth...) Show SMILES OC(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1 Show InChI InChI=1S/C18H16N2O3/c21-17-14(9-12-7-10-3-1-2-4-15(10)19-12)13-8-11(18(22)23)5-6-16(13)20-17/h5-9,19H,1-4H2,(H,20,21)(H,22,23)/b14-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4917 ((3Z)-3-{[3-(2-carboxyethyl)-4,5,6,7-tetrahydro-1H-...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(cc23)C(O)=O)[nH]c2CCCCc12 Show InChI InChI=1S/C21H20N2O5/c24-19(25)8-6-13-12-3-1-2-4-16(12)22-18(13)10-15-14-9-11(21(27)28)5-7-17(14)23-20(15)26/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)(H,27,28)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM4882 ((Z)-3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-yl)met...) Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O Show InChI InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM4882 ((Z)-3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-yl)met...) Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O Show InChI InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 42: 5120-30 (1999) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q20Z71GM
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM4906 ((3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmeth...) Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1 Show InChI InChI=1S/C17H17N3O3S/c18-24(22,23)12-5-6-16-13(9-12)14(17(21)20-16)8-11-7-10-3-1-2-4-15(10)19-11/h5-9,19H,1-4H2,(H,20,21)(H2,18,22,23)/b14-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM4915 (3-(2-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-y...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(Br)cc23)[nH]c2CCCCc12 Show InChI InChI=1S/C20H19BrN2O3/c21-11-5-7-17-14(9-11)15(20(26)23-17)10-18-13(6-8-19(24)25)12-3-1-2-4-16(12)22-18/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM4882 ((Z)-3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-yl)met...) Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O Show InChI InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM4883 (3-(4-methyl-2-{[(3Z)-4-methyl-2-oxo-2,3-dihydro-1H...) Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3cccc(C)c23)c1CCC(O)=O Show InChI InChI=1S/C18H18N2O3/c1-10-4-3-5-14-17(10)13(18(23)20-14)8-15-12(6-7-16(21)22)11(2)9-19-15/h3-5,8-9,19H,6-7H2,1-2H3,(H,20,23)(H,21,22)/b13-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 42: 5120-30 (1999) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q20Z71GM
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM4882 ((Z)-3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-yl)met...) Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O Show InChI InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 42: 5120-30 (1999) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q20Z71GM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM4922 (3-(2-{[(3Z)-6-(4-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1ccc(cc1)-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C27H26N2O4/c1-33-18-9-6-16(7-10-18)17-8-11-21-22(27(32)29-24(21)14-17)15-25-20(12-13-26(30)31)19-4-2-3-5-23(19)28-25/h6-11,14-15,28H,2-5,12-13H2,1H3,(H,29,32)(H,30,31)/b22-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4919 (3-(2-{[(3Z)-2-oxo-6-phenyl-2,3-dihydro-1H-indol-3-...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)[nH]c2CCCCc12 Show InChI InChI=1S/C26H24N2O3/c29-25(30)13-12-19-18-8-4-5-9-22(18)27-24(19)15-21-20-11-10-17(14-23(20)28-26(21)31)16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,27H,4-5,8-9,12-13H2,(H,28,31)(H,29,30)/b21-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16735 (N-(2-{4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-1...) Show SMILES O[C@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H35N3O2/c40-35(29-13-5-2-6-14-29)20-21-38-22-24-39(25-23-38)34-19-18-30(27-10-3-1-4-11-27)26-33(34)37-36(41)32-17-9-15-28-12-7-8-16-31(28)32/h1-19,26,35,40H,20-25H2,(H,37,41)/t35-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM4919 (3-(2-{[(3Z)-2-oxo-6-phenyl-2,3-dihydro-1H-indol-3-...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)[nH]c2CCCCc12 Show InChI InChI=1S/C26H24N2O3/c29-25(30)13-12-19-18-8-4-5-9-22(18)27-24(19)15-21-20-11-10-17(14-23(20)28-26(21)31)16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,27H,4-5,8-9,12-13H2,(H,28,31)(H,29,30)/b21-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4896 (3-(5-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-y...) Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(Br)cc23)c(C)c1CCC(O)=O Show InChI InChI=1S/C18H17BrN2O3/c1-9-12(4-6-17(22)23)10(2)20-16(9)8-14-13-7-11(19)3-5-15(13)21-18(14)24/h3,5,7-8,20H,4,6H2,1-2H3,(H,21,24)(H,22,23)/b14-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 42: 5120-30 (1999) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q20Z71GM
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4917 ((3Z)-3-{[3-(2-carboxyethyl)-4,5,6,7-tetrahydro-1H-...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(cc23)C(O)=O)[nH]c2CCCCc12 Show InChI InChI=1S/C21H20N2O5/c24-19(25)8-6-13-12-3-1-2-4-16(12)22-18(13)10-15-14-9-11(21(27)28)5-7-17(14)23-20(15)26/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)(H,27,28)/b15-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4922 (3-(2-{[(3Z)-6-(4-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1ccc(cc1)-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C27H26N2O4/c1-33-18-9-6-16(7-10-18)17-8-11-21-22(27(32)29-24(21)14-17)15-25-20(12-13-26(30)31)19-4-2-3-5-23(19)28-25/h6-11,14-15,28H,2-5,12-13H2,1H3,(H,29,32)(H,30,31)/b22-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4811 ((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...) Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 42: 5120-30 (1999) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q20Z71GM
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM4921 (3-(2-{[(3Z)-6-(2-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1ccccc1-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C27H26N2O4/c1-33-25-9-5-3-6-17(25)16-10-11-20-21(27(32)29-23(20)14-16)15-24-19(12-13-26(30)31)18-7-2-4-8-22(18)28-24/h3,5-6,9-11,14-15,28H,2,4,7-8,12-13H2,1H3,(H,29,32)(H,30,31)/b21-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16733 (4-[1-(5-Amino)-pentyl]-1-{4-(phenyl)-2-[(naphthale...) Show SMILES NCCCCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C32H36N4O/c33-18-7-2-8-19-35-20-22-36(23-21-35)31-17-16-27(25-10-3-1-4-11-25)24-30(31)34-32(37)29-15-9-13-26-12-5-6-14-28(26)29/h1,3-6,9-17,24H,2,7-8,18-23,33H2,(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16734 (N-(2-{4-[(3S)-3-hydroxy-3-phenylpropyl]piperazin-1...) Show SMILES O[C@@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H35N3O2/c40-35(29-13-5-2-6-14-29)20-21-38-22-24-39(25-23-38)34-19-18-30(27-10-3-1-4-11-27)26-33(34)37-36(41)32-17-9-15-28-12-7-8-16-31(28)32/h1-19,26,35,40H,20-25H2,(H,37,41)/t35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM4905 ((3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylme...) Show SMILES Brc1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1 Show InChI InChI=1S/C17H15BrN2O/c18-11-5-6-16-13(8-11)14(17(21)20-16)9-12-7-10-3-1-2-4-15(10)19-12/h5-9,19H,1-4H2,(H,20,21)/b14-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Mus musculus)	BDBM50065308 ((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...) Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc. Curated by ChEMBL					Assay Description Concentration required to achieve 50% inhibition of tyrosine phosphorylation on murine VEGF receptor (FLK-1 RTK).				J Med Chem 41: 2588-603 (1998) Article DOI: 10.1021/jm980123i BindingDB Entry DOI: 10.7270/Q2G73CTT
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM4897 ((3Z)-3-{[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol...) Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C(O)=O)c(C)c1CCC(O)=O Show InChI InChI=1S/C19H18N2O5/c1-9-12(4-6-17(22)23)10(2)20-16(9)8-14-13-7-11(19(25)26)3-5-15(13)21-18(14)24/h3,5,7-8,20H,4,6H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)/b14-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 42: 5120-30 (1999) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q20Z71GM
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM4920 (3-(2-{[(3Z)-6-(3-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1cccc(c1)-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C27H26N2O4/c1-33-18-6-4-5-16(13-18)17-9-10-21-22(27(32)29-24(21)14-17)15-25-20(11-12-26(30)31)19-7-2-3-8-23(19)28-25/h4-6,9-10,13-15,28H,2-3,7-8,11-12H2,1H3,(H,29,32)(H,30,31)/b22-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16736 (N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naph...) Show SMILES O=C(Nc1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1)-c1ccccc1)c1cccc2ccccc12 Show InChI InChI=1S/C34H29N3O2/c38-33(30-17-9-15-26-12-7-8-16-29(26)30)35-31-24-28(25-10-3-1-4-11-25)18-19-32(31)36-20-22-37(23-21-36)34(39)27-13-5-2-6-14-27/h1-19,24H,20-23H2,(H,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16727 (N-{5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]phe...) Show SMILES OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C23H24BrN3O2/c24-18-8-9-22(27-12-10-26(11-13-27)14-15-28)21(16-18)25-23(29)20-7-3-5-17-4-1-2-6-19(17)20/h1-9,16,28H,10-15H2,(H,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM4921 (3-(2-{[(3Z)-6-(2-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1ccccc1-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C27H26N2O4/c1-33-25-9-5-3-6-17(25)16-10-11-20-21(27(32)29-23(20)14-16)15-24-19(12-13-26(30)31)18-7-2-4-8-22(18)28-24/h3,5-6,9-11,14-15,28H,2,4,7-8,12-13H2,1H3,(H,29,32)(H,30,31)/b21-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM4884 (3-(2-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-y...) Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccc(Br)cc23)c1CCC(O)=O Show InChI InChI=1S/C17H15BrN2O3/c1-9-8-19-15(11(9)3-5-16(21)22)7-13-12-6-10(18)2-4-14(12)20-17(13)23/h2,4,6-8,19H,3,5H2,1H3,(H,20,23)(H,21,22)/b13-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 42: 5120-30 (1999) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q20Z71GM
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4906 ((3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmeth...) Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1 Show InChI InChI=1S/C17H17N3O3S/c18-24(22,23)12-5-6-16-13(9-12)14(17(21)20-16)8-11-7-10-3-1-2-4-15(10)19-11/h5-9,19H,1-4H2,(H,20,21)(H2,18,22,23)/b14-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16731 (Naphthyl Compound, 5b | ethyl 2-{4-[2-(naphthalene...) Show SMILES CCOC(=O)CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C31H31N3O3/c1-2-37-30(35)22-33-17-19-34(20-18-33)29-16-15-25(23-9-4-3-5-10-23)21-28(29)32-31(36)27-14-8-12-24-11-6-7-13-26(24)27/h3-16,21H,2,17-20,22H2,1H3,(H,32,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM4914 (3-(2-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]m...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccccc23)[nH]c2CCCCc12 Show InChI InChI=1S/C20H20N2O3/c23-19(24)10-9-14-12-5-1-3-7-16(12)21-18(14)11-15-13-6-2-4-8-17(13)22-20(15)25/h2,4,6,8,11,21H,1,3,5,7,9-10H2,(H,22,25)(H,23,24)/b15-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM4892 (3-(5-{[(3Z)-6-(3-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1cccc(c1)-c1ccc2\C(=C\c3[nH]cc(CCC(O)=O)c3C)C(=O)Nc2c1 Show InChI InChI=1S/C24H22N2O4/c1-14-17(7-9-23(27)28)13-25-21(14)12-20-19-8-6-16(11-22(19)26-24(20)29)15-4-3-5-18(10-15)30-2/h3-6,8,10-13,25H,7,9H2,1-2H3,(H,26,29)(H,27,28)/b20-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.5	22
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 42: 5120-30 (1999) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q20Z71GM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50180393 (CHEMBL205309 | tert-butyl 4-(4-bromo-2-(2-(7-metho...) Show SMILES COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCN(CC3)C(=O)OC(C)(C)C)cc(=O)oc2c1 Show InChI InChI=1S/C27H30BrN3O6/c1-27(2,3)37-26(34)31-11-9-30(10-12-31)22-8-5-18(28)15-21(22)29-24(32)13-17-14-25(33)36-23-16-19(35-4)6-7-20(17)23/h5-8,14-16H,9-13H2,1-4H3,(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of BACE1 activity by FRET assay				Bioorg Med Chem Lett 16: 1995-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.064 BindingDB Entry DOI: 10.7270/Q29W0F2N
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16732 (1-{4-(Phenyl)-2-[(naphthalene-1-carbonyl)-amino]-p...) Show SMILES O=C(Nc1cc(ccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1)-c1ccccc1)c1cccc2ccccc12 Show InChI InChI=1S/C40H38N4O3/c45-38(33-19-11-15-30-14-5-6-16-32(30)33)41-36-28-31(29-12-3-1-4-13-29)20-21-37(36)43-26-24-42(25-27-43)22-9-2-10-23-44-39(46)34-17-7-8-18-35(34)40(44)47/h1,3-8,11-21,28H,2,9-10,22-27H2,(H,41,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4901 (3-(5-{[(3Z)-6-(3-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1cccc(c1)-c1ccc2\C(=C\c3[nH]c(C)c(CCC(O)=O)c3C)C(=O)Nc2c1 Show InChI InChI=1S/C25H24N2O4/c1-14-19(9-10-24(28)29)15(2)26-22(14)13-21-20-8-7-17(12-23(20)27-25(21)30)16-5-4-6-18(11-16)31-3/h4-8,11-13,26H,9-10H2,1-3H3,(H,27,30)(H,28,29)/b21-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 42: 5120-30 (1999) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q20Z71GM
					More data for this Ligand-Target Pair
Histone Deacetylase (pfHDAC-1) (Plasmodium falciparum (isolate 3D7))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	KEGG GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum 3D7 histone deacetylase infected in human erythrocytes assessed as alteration of histone H3 acetylation after 3.5...				Antimicrob Agents Chemother 52: 3467-77 (2008) Article DOI: 10.1128/AAC.00439-08 BindingDB Entry DOI: 10.7270/Q2W66M0G
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4920 (3-(2-{[(3Z)-6-(3-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1cccc(c1)-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C27H26N2O4/c1-33-18-6-4-5-16(13-18)17-9-10-21-22(27(32)29-24(21)14-17)15-25-20(11-12-26(30)31)19-7-2-3-8-23(19)28-25/h4-6,9-10,13-15,28H,2-3,7-8,11-12H2,1H3,(H,29,32)(H,30,31)/b22-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4919 (3-(2-{[(3Z)-2-oxo-6-phenyl-2,3-dihydro-1H-indol-3-...) Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)[nH]c2CCCCc12 Show InChI InChI=1S/C26H24N2O3/c29-25(30)13-12-19-18-8-4-5-9-22(18)27-24(19)15-21-20-11-10-17(14-23(20)28-26(21)31)16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,27H,4-5,8-9,12-13H2,(H,28,31)(H,29,30)/b21-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16730 (N-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylph...) Show SMILES OCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C29H29N3O2/c33-20-19-31-15-17-32(18-16-31)28-14-13-24(22-7-2-1-3-8-22)21-27(28)30-29(34)26-12-6-10-23-9-4-5-11-25(23)26/h1-14,21,33H,15-20H2,(H,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.5	25
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4907 ((3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmeth...) Show SMILES OC(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1 Show InChI InChI=1S/C18H16N2O3/c21-17-14(9-12-7-10-3-1-2-4-15(10)19-12)13-8-11(18(22)23)5-6-16(13)20-17/h5-9,19H,1-4H2,(H,20,21)(H,22,23)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 43: 2655-63 (2000) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2W66J0N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Mus musculus)	BDBM50065303 (3-[1-(3-Ethyl-4,5-dimethyl-1H-pyrrol-2-yl)-meth-(Z...) Show SMILES CCc1c(C)c(C)[nH]c1\C=C1/C(=O)Nc2ccccc12 Show InChI InChI=1S/C17H18N2O/c1-4-12-10(2)11(3)18-16(12)9-14-13-7-5-6-8-15(13)19-17(14)20/h5-9,18H,4H2,1-3H3,(H,19,20)/b14-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc. Curated by ChEMBL					Assay Description Concentration required to achieve 50% inhibition of tyrosine phosphorylation on murine VEGF receptor (FLK-1 RTK).				J Med Chem 41: 2588-603 (1998) Article DOI: 10.1021/jm980123i BindingDB Entry DOI: 10.7270/Q2G73CTT
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4890 (3-(5-{[(3Z)-6-methoxy-2-oxo-2,3-dihydro-1H-indol-3...) Show SMILES COc1ccc2\C(=C\c3[nH]cc(CCC(O)=O)c3C)C(=O)Nc2c1 Show InChI InChI=1S/C18H18N2O4/c1-10-11(3-6-17(21)22)9-19-15(10)8-14-13-5-4-12(24-2)7-16(13)20-18(14)23/h4-5,7-9,19H,3,6H2,1-2H3,(H,20,23)(H,21,22)/b14-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 42: 5120-30 (1999) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q20Z71GM
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4887 (3-(4-methyl-5-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-...) Show SMILES Cc1c(CCC(O)=O)c[nH]c1\C=C1/C(=O)Nc2ccccc12 Show InChI InChI=1S/C17H16N2O3/c1-10-11(6-7-16(20)21)9-18-15(10)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 42: 5120-30 (1999) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q20Z71GM
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) (Homo sapiens (Human))	BDBM4900 (3-(2,4-dimethyl-5-{[(3Z)-2-oxo-6-phenyl-2,3-dihydr...) Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)c(C)c1CCC(O)=O Show InChI InChI=1S/C24H22N2O3/c1-14-18(10-11-23(27)28)15(2)25-21(14)13-20-19-9-8-17(12-22(19)26-24(20)29)16-6-4-3-5-7-16/h3-9,12-13,25H,10-11H2,1-2H3,(H,26,29)(H,27,28)/b20-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				J Med Chem 42: 5120-30 (1999) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q20Z71GM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16749 (Coumarin Compound, 11c | N-[2-(4-benzylpiperazin-1...) Show SMILES O=C(Nc1cc(ccc1N1CCN(Cc2ccccc2)CC1)-c1ccccc1)c1cc2ccccc2oc1=O Show InChI InChI=1S/C33H29N3O3/c37-32(28-21-27-13-7-8-14-31(27)39-33(28)38)34-29-22-26(25-11-5-2-6-12-25)15-16-30(29)36-19-17-35(18-20-36)23-24-9-3-1-4-10-24/h1-16,21-22H,17-20,23H2,(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4891 (3-(4-methyl-5-{[(3Z)-2-oxo-6-phenyl-2,3-dihydro-1H...) Show SMILES Cc1c(CCC(O)=O)c[nH]c1\C=C1/C(=O)Nc2cc(ccc12)-c1ccccc1 Show InChI InChI=1S/C23H20N2O3/c1-14-17(8-10-22(26)27)13-24-20(14)12-19-18-9-7-16(11-21(18)25-23(19)28)15-5-3-2-4-6-15/h2-7,9,11-13,24H,8,10H2,1H3,(H,25,28)(H,26,27)/b19-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 42: 5120-30 (1999) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q20Z71GM
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4892 (3-(5-{[(3Z)-6-(3-methoxyphenyl)-2-oxo-2,3-dihydro-...) Show SMILES COc1cccc(c1)-c1ccc2\C(=C\c3[nH]cc(CCC(O)=O)c3C)C(=O)Nc2c1 Show InChI InChI=1S/C24H22N2O4/c1-14-17(7-9-23(27)28)13-25-21(14)12-20-19-8-6-16(11-22(19)26-24(20)29)15-4-3-5-18(10-15)30-2/h3-6,8,10-13,25H,7,9H2,1-2H3,(H,26,29)(H,27,28)/b20-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc.					Assay Description IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...				J Med Chem 42: 5120-30 (1999) Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q20Z71GM
					More data for this Ligand-Target Pair

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