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Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'lipson' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
LTB4R


(Homo sapiens (Human))
BDBM50072996
PNG
(3-[5-((E)-2-Diethylcarbamoyl-1-methyl-vinyl)-2-(1-...)
Show SMILES CCN(CC)C(=O)\C=C(/C)c1ccc(OC(C)c2ccccc2)c(CCC(O)=O)c1
Show InChI InChI=1S/C25H31NO4/c1-5-26(6-2)24(27)16-18(3)21-12-14-23(22(17-21)13-15-25(28)29)30-19(4)20-10-8-7-9-11-20/h7-12,14,16-17,19H,5-6,13,15H2,1-4H3,(H,28,29)/b18-16+
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9.5n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Leukotriene B4 receptor antagonistic activity was measured by the inhibition of LTB4 induced [Ca2+] release from human PMNs


J Med Chem 42: 164-72 (1999)


Article DOI: 10.1021/jm980540v
BindingDB Entry DOI: 10.7270/Q26972QG
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4915
PNG
(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-
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n/an/a 4n/an/an/an/an/an/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))
BDBM4917
PNG
((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-
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n/an/a 4n/an/an/an/a7.522



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
LTB4R


(Homo sapiens (Human))
BDBM50291519
PNG
(3-(3-Biphenyl-4-yl-but-2-enoylamino)-4-methoxy-ben...)
Show SMILES COc1ccc(cc1NC(=O)\C=C(/C)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO4/c1-16(17-8-10-19(11-9-17)18-6-4-3-5-7-18)14-23(26)25-21-15-20(24(27)28)12-13-22(21)29-2/h3-15H,1-2H3,(H,25,26)(H,27,28)/b16-14+
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils


Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50280989
PNG
(2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34|
Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit the binding of [125I]-ET-1 to the Endothelin A receptor in porcine thoracic aorta membranes.


Bioorg Med Chem Lett 3: 2099-2104 (1993)


Article DOI: 10.1016/S0960-894X(01)81025-8
BindingDB Entry DOI: 10.7270/Q2DV1JS8
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50291521
PNG
((E)-3-Biphenyl-4-yl-N-[2-methoxy-5-(1H-tetrazol-5-...)
Show SMILES COc1ccc(cc1NC(=O)C=Cc1ccc(cc1)-c1ccccc1)-c1nnn[nH]1 |w:12.13|
Show InChI InChI=1S/C23H19N5O2/c1-30-21-13-12-19(23-25-27-28-26-23)15-20(21)24-22(29)14-9-16-7-10-18(11-8-16)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,29)(H,25,26,27,28)
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils


Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
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
PNG
((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-
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n/an/a 20n/an/an/an/a7.522



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))
BDBM4907
PNG
((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-
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n/an/a 20n/an/an/an/a7.522



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
PNG
((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-
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n/an/a 20n/an/an/an/an/an/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))
BDBM4915
PNG
(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-
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n/an/a 30n/an/an/an/a7.522



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))
BDBM4906
PNG
((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-
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n/an/a 30n/an/an/an/a7.522



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
PNG
((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-
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n/an/a 30n/an/an/an/an/an/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
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4922
PNG
(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-
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n/an/a 30n/an/an/an/a7.522



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
PNG
(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-
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n/an/a 40n/an/an/an/an/an/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))
BDBM4919
PNG
(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-
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n/an/a 50n/an/an/an/a7.522



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
PNG
(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-
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n/an/a 60n/an/an/an/an/an/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 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4921
PNG
(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-
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n/an/a 60n/an/an/an/a7.522



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))
BDBM4917
PNG
((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-
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n/an/a 60n/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50291516
PNG
(3-((E)-3-Biphenyl-4-yl-acryloylamino)-4-methoxy-be...)
Show SMILES COc1ccc(cc1NC(=O)\C=C\c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H19NO4/c1-28-21-13-12-19(23(26)27)15-20(21)24-22(25)14-9-16-7-10-18(11-8-16)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,25)(H,26,27)/b14-9+
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n/an/a 68n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils


Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
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
PNG
(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-
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n/an/a 70n/an/an/an/a7.522



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))
BDBM4905
PNG
((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-
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n/an/a 70n/an/an/an/a7.522



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))
BDBM4921
PNG
(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-
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n/an/a 80n/an/an/an/an/an/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))
BDBM4906
PNG
((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-
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n/an/a 80n/an/an/an/an/an/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 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4914
PNG
(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-
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n/an/a 90n/an/an/an/a7.522



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))
BDBM4920
PNG
(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-
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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
PNG
(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-
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n/an/a 110n/an/an/an/an/an/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))
BDBM4907
PNG
((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-
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n/an/a 120n/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50291512
PNG
(3-((E)-3-Biphenyl-4-yl-acryloylamino)-4-ethoxy-ben...)
Show SMILES CCOc1ccc(cc1NC(=O)\C=C\c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO4/c1-2-29-22-14-13-20(24(27)28)16-21(22)25-23(26)15-10-17-8-11-19(12-9-17)18-6-4-3-5-7-18/h3-16H,2H2,1H3,(H,25,26)(H,27,28)/b15-10+
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n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils


Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM4916
PNG
(3-(2-{[(3Z)-2-oxo-5-sulfamoyl-2,3-dihydro-1H-indol...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCC(O)=O)c2c1
Show InChI InChI=1S/C20H21N3O5S/c21-29(27,28)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)(H2,21,27,28)/b15-10-
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n/an/a 200n/an/an/an/an/an/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))
BDBM4917
PNG
((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-
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n/an/a 220n/an/an/an/an/an/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))
BDBM4906
PNG
((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-
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n/an/a 220n/an/an/an/an/an/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))
BDBM4914
PNG
(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-
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n/an/a 240n/an/an/an/an/an/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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM4915
PNG
(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-
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n/an/a 270n/an/an/an/an/an/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))
BDBM4914
PNG
(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-
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n/an/a 270n/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50291515
PNG
(4-Methoxy-3-[3-(4'-methyl-biphenyl-4-yl)-acryloyla...)
Show SMILES COc1ccc(cc1NC(=O)\C=C\c1ccc(cc1)-c1ccc(C)cc1)C(O)=O
Show InChI InChI=1S/C24H21NO4/c1-16-3-8-18(9-4-16)19-10-5-17(6-11-19)7-14-23(26)25-21-15-20(24(27)28)12-13-22(21)29-2/h3-15H,1-2H3,(H,25,26)(H,27,28)/b14-7+
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n/an/a 276n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils


Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50280989
PNG
(2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34|
Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28+/m0/s1
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n/an/a 295n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit the binding of [125I]-ET-1 to the Endothelin B receptor in rat cerebellum membranes.


Bioorg Med Chem Lett 3: 2099-2104 (1993)


Article DOI: 10.1016/S0960-894X(01)81025-8
BindingDB Entry DOI: 10.7270/Q2DV1JS8
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM4907
PNG
((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-
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n/an/a 310n/an/an/an/an/an/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 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4918
PNG
(3-(2-{[(3Z)-6-methoxy-2-oxo-2,3-dihydro-1H-indol-3...)
Show SMILES COc1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1
Show InChI InChI=1S/C21H22N2O4/c1-27-12-6-7-15-16(21(26)23-18(15)10-12)11-19-14(8-9-20(24)25)13-4-2-3-5-17(13)22-19/h6-7,10-11,22H,2-5,8-9H2,1H3,(H,23,26)(H,24,25)/b16-11-
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n/an/a 380n/an/an/an/a7.522



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
Endothelin receptor ET-A


(Sus scrofa)
BDBM50280990
PNG
(2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34|
Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28-/m0/s1
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n/an/a 422n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against Endothelin A receptor


Bioorg Med Chem Lett 3: 2099-2104 (1993)


Article DOI: 10.1016/S0960-894X(01)81025-8
BindingDB Entry DOI: 10.7270/Q2DV1JS8
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))
BDBM4904
PNG
((3Z)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethyliden...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1cc2CCCCc2[nH]1
Show InChI InChI=1S/C17H16N2O/c20-17-14(13-6-2-4-8-16(13)19-17)10-12-9-11-5-1-3-7-15(11)18-12/h2,4,6,8-10,18H,1,3,5,7H2,(H,19,20)/b14-10-
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n/an/a 480n/an/an/an/a7.522



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))
BDBM4882
PNG
((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-
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n/an/a 510n/an/an/an/an/an/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
Voltage-gated L-type calcium channel


(Rattus norvegicus-RAT)
BDBM50280989
PNG
(2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34|
Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28+/m0/s1
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n/an/a 592n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 2099-2104 (1993)


Article DOI: 10.1016/S0960-894X(01)81025-8
BindingDB Entry DOI: 10.7270/Q2DV1JS8
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))
BDBM4916
PNG
(3-(2-{[(3Z)-2-oxo-5-sulfamoyl-2,3-dihydro-1H-indol...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCC(O)=O)c2c1
Show InChI InChI=1S/C20H21N3O5S/c21-29(27,28)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)(H2,21,27,28)/b15-10-
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n/an/a 600n/an/an/an/a7.522



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))
BDBM4920
PNG
(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-
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n/an/a 680n/an/an/an/an/an/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4916
PNG
(3-(2-{[(3Z)-2-oxo-5-sulfamoyl-2,3-dihydro-1H-indol...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCC(O)=O)c2c1
Show InChI InChI=1S/C20H21N3O5S/c21-29(27,28)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)(H2,21,27,28)/b15-10-
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n/an/a 680n/an/an/an/an/an/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 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 700n/an/an/an/a7.522



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))
BDBM4916
PNG
(3-(2-{[(3Z)-2-oxo-5-sulfamoyl-2,3-dihydro-1H-indol...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCC(O)=O)c2c1
Show InChI InChI=1S/C20H21N3O5S/c21-29(27,28)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)(H2,21,27,28)/b15-10-
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n/an/a<780n/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50291507
PNG
(3-(3-Biphenyl-4-yl-3-oxo-propionylamino)-4-methoxy...)
Show SMILES COc1ccc(cc1NC(=O)CC(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H19NO5/c1-29-21-12-11-18(23(27)28)13-19(21)24-22(26)14-20(25)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,24,26)(H,27,28)
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n/an/a 784n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils


Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50291511
PNG
(2-((E)-3-Biphenyl-4-yl-acryloylamino)-benzoic acid...)
Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H17NO3/c24-21(23-20-9-5-4-8-19(20)22(25)26)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-15H,(H,23,24)(H,25,26)/b15-12+
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n/an/a 830n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils


Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4921
PNG
(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-
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n/an/a 840n/an/an/an/an/an/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
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