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Compile Data Set for Download or QSAR

Found 2106 hits with Last Name = 'kiselyov' and Initial = 'a'   
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
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146490
PNG
(3-(S)-Benzo[1,3]dioxol-5-yl-3-({(R)-5-oxo-1-[3-(1,...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21|
Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28)/t16-,19+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50201397
PNG
(1-methyl-N-(3-methyl-4-(trifluoromethyl)phenyl)-4-...)
Show SMILES Cc1cc(NC(=O)c2c(NCc3ccncc3)ncn2C)ccc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N5O/c1-12-9-14(3-4-15(12)19(20,21)22)26-18(28)16-17(25-11-27(16)2)24-10-13-5-7-23-8-6-13/h3-9,11,24H,10H2,1-2H3,(H,26,28)
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0.160n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by [32P]ATP-competitive radioassay


Bioorg Med Chem Lett 17: 1369-75 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.087
BindingDB Entry DOI: 10.7270/Q2125S92
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50201363
PNG
(1-methyl-4-(pyridin-4-ylmethylamino)-N-(4-(trifluo...)
Show SMILES Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H16F3N5O2/c1-26-16(15(11-24-26)23-10-12-6-8-22-9-7-12)17(27)25-13-2-4-14(5-3-13)28-18(19,20)21/h2-9,11,23H,10H2,1H3,(H,25,27)
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0.170n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by [32P]ATP-competitive radioassay


Bioorg Med Chem Lett 17: 1369-75 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.087
BindingDB Entry DOI: 10.7270/Q2125S92
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50201394
PNG
(CHEMBL393779 | N-(4-tert-butylphenyl)-1-methyl-4-(...)
Show SMILES Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H25N5O/c1-21(2,3)16-5-7-17(8-6-16)25-20(27)18-19(24-14-26(18)4)23-13-15-9-11-22-12-10-15/h5-12,14,23H,13H2,1-4H3,(H,25,27)
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0.200n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by [32P]ATP-competitive radioassay


Bioorg Med Chem Lett 17: 1369-75 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.087
BindingDB Entry DOI: 10.7270/Q2125S92
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS


Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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0.380n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERbeta expressed in COS7 cells by FACS


Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146492
PNG
(3-Benzo[1,3]dioxol-5-yl-3-({1-[2-fluoro-5-(1,4,5,6...)
Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cc(NC2=NCCCN2)ccc1F)c1ccc2OCOc2c1 |t:19|
Show InChI InChI=1S/C25H26FN5O6/c26-17-4-3-16(29-25-27-6-1-7-28-25)10-19(17)31-12-15(9-22(31)32)24(35)30-18(11-23(33)34)14-2-5-20-21(8-14)37-13-36-20/h2-5,8,10,15,18H,1,6-7,9,11-13H2,(H,30,35)(H,33,34)(H2,27,28,29)
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0.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146497
PNG
(3-Benzo[1,3]dioxol-5-yl-3-({5-oxo-1-[3-(1,4,5,6-te...)
Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21|
Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28)
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0.700n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Affinity for alphaIIb-beta3 integrin


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146493
PNG
(3-({5-Oxo-1-[3-(1,4,5,6-tetrahydro-pyrimidin-2-yla...)
Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1cccnc1 |t:21|
Show InChI InChI=1S/C23H26N6O4/c30-20-10-16(22(33)28-19(12-21(31)32)15-4-2-7-24-13-15)14-29(20)18-6-1-5-17(11-18)27-23-25-8-3-9-26-23/h1-2,4-7,11,13,16,19H,3,8-10,12,14H2,(H,28,33)(H,31,32)(H2,25,26,27)
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1.40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146481
PNG
(3-Benzo[1,3]dioxol-5-yl-3-({1-[3-(3-benzyl-ureido)...)
Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H28N4O7/c34-26-12-20(28(37)32-23(14-27(35)36)19-9-10-24-25(11-19)40-17-39-24)16-33(26)22-8-4-7-21(13-22)31-29(38)30-15-18-5-2-1-3-6-18/h1-11,13,20,23H,12,14-17H2,(H,32,37)(H,35,36)(H2,30,31,38)
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2.40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146488
PNG
(3-{[1-(2-Fluoro-5-guanidino-phenyl)-5-oxo-pyrrolid...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(F)c(c1)-[#7]-1-[#6]-[#6](-[#6]-[#6]-1=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#8])=O)-c1cccnc1
Show InChI InChI=1S/C20H21FN6O4/c21-14-4-3-13(25-20(22)23)7-16(14)27-10-12(6-17(27)28)19(31)26-15(8-18(29)30)11-2-1-5-24-9-11/h1-5,7,9,12,15H,6,8,10H2,(H,26,31)(H,29,30)(H4,22,23,25)
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2.90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Affinity for alphaIIb-beta3 integrin


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146482
PNG
(3-({1-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)-pheny...)
Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC2=NCCN2)c1)c1cccnc1 |t:21|
Show InChI InChI=1S/C22H24N6O4/c29-19-9-15(21(32)27-18(11-20(30)31)14-3-2-6-23-12-14)13-28(19)17-5-1-4-16(10-17)26-22-24-7-8-25-22/h1-6,10,12,15,18H,7-9,11,13H2,(H,27,32)(H,30,31)(H2,24,25,26)
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5.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Affinity for alphaIIb-beta3 integrin


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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5.70n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACS


Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146485
PNG
(3-(R)-Benzo[1,3]dioxol-5-yl-3-({(R)-5-oxo-1-[3-(1,...)
Show SMILES OC(=O)C[C@@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21|
Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28)/t16-,19-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146496
PNG
((S)-3-({(R)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-p...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1
Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)/t20-,24+/m1/s1
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10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Affinity for alphaIIb-beta3 integrin


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146495
PNG
(3-({1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-pyrrolidi...)
Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccnc1
Show InChI InChI=1S/C27H27N5O5/c33-24-12-20(26(36)31-23(14-25(34)35)19-8-5-11-28-16-19)17-32(24)22-10-4-9-21(13-22)30-27(37)29-15-18-6-2-1-3-7-18/h1-11,13,16,20,23H,12,14-15,17H2,(H,31,36)(H,34,35)(H2,29,30,37)
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10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Affinity for alphaIIb-beta3 integrin


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens (Human))
BDBM50303803
PNG
(1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...)
Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11|
Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1
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11n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACS


Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146484
PNG
(3-({1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-pyrrolidi...)
Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1
Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)
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11n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146489
PNG
(3-{[1-(3-Guanidino-phenyl)-5-oxo-pyrrolidine-3-car...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#7]-1-[#6]-[#6](-[#6]-[#6]-1=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#8])=O)-c1cccnc1
Show InChI InChI=1S/C20H22N6O4/c21-20(22)24-14-4-1-5-15(8-14)26-11-13(7-17(26)27)19(30)25-16(9-18(28)29)12-3-2-6-23-10-12/h1-6,8,10,13,16H,7,9,11H2,(H,25,30)(H,28,29)(H4,21,22,24)
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17n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146494
PNG
(3-{[1-(2-Chloro-5-guanidino-phenyl)-5-oxo-pyrrolid...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(Cl)c(c1)-[#7]-1-[#6]-[#6](-[#6]-[#6]-1=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#8])=O)-c1cccnc1
Show InChI InChI=1S/C20H21ClN6O4/c21-14-4-3-13(25-20(22)23)7-16(14)27-10-12(6-17(27)28)19(31)26-15(8-18(29)30)11-2-1-5-24-9-11/h1-5,7,9,12,15H,6,8,10H2,(H,26,31)(H,29,30)(H4,22,23,25)
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53n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50277407
PNG
(CHEMBL473288 | N-(4-bromophenyl)-4-(pyridin-4-ylme...)
Show SMILES Brc1ccc(NC(=O)c2nscc2NCc2ccncc2)cc1
Show InChI InChI=1S/C16H13BrN4OS/c17-12-1-3-13(4-2-12)20-16(22)15-14(10-23-21-15)19-9-11-5-7-18-8-6-11/h1-8,10,19H,9H2,(H,20,22)
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70n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) at IC90 concentration by ATP based competition assay


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211992
PNG
(CHEMBL236419 | N-(4-(chlorodifluoromethoxy)phenyl)...)
Show SMILES FC(F)(Cl)Oc1cccc(NC(=O)c2ccnn2CCc2ccncc2)c1
Show InChI InChI=1S/C18H15ClF2N4O2/c19-18(20,21)27-15-3-1-2-14(12-15)24-17(26)16-6-10-23-25(16)11-7-13-4-8-22-9-5-13/h1-6,8-10,12H,7,11H2,(H,24,26)
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70n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as inhibition of phosphorylation in presence of 2 uM ATP by HTRF assay


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146491
PNG
(3-({1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-pyrrolidi...)
Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1ccccc1
Show InChI InChI=1S/C28H28N4O5/c33-25-14-21(27(36)31-24(16-26(34)35)20-10-5-2-6-11-20)18-32(25)23-13-7-12-22(15-23)30-28(37)29-17-19-8-3-1-4-9-19/h1-13,15,21,24H,14,16-18H2,(H,31,36)(H,34,35)(H2,29,30,37)
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71n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211983
PNG
(1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethoxy)p...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1
Show InChI InChI=1S/C18H15F3N4O2/c19-18(20,21)27-15-3-1-14(2-4-15)24-17(26)16-7-11-23-25(16)12-8-13-5-9-22-10-6-13/h1-7,9-11H,8,12H2,(H,24,26)
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80n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Displacement of [32P]ATP from human VEGFR2 after 45 mins


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50248494
PNG
(CHEMBL490968 | N-(Pyridin-4-ylmethyl)-2-(1-(3-(tri...)
Show SMILES FC(F)(F)c1cccc(c1)-n1cc(nn1)-c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C21H16F3N5/c22-21(23,24)16-4-3-5-17(12-16)29-14-20(27-28-29)18-6-1-2-7-19(18)26-13-15-8-10-25-11-9-15/h1-12,14,26H,13H2
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80n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin) at IC90 in presence of ATP


Bioorg Med Chem Lett 19: 1344-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.046
BindingDB Entry DOI: 10.7270/Q2DV1JRT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50248494
PNG
(CHEMBL490968 | N-(Pyridin-4-ylmethyl)-2-(1-(3-(tri...)
Show SMILES FC(F)(F)c1cccc(c1)-n1cc(nn1)-c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C21H16F3N5/c22-21(23,24)16-4-3-5-17(12-16)29-14-20(27-28-29)18-6-1-2-7-19(18)26-13-15-8-10-25-11-9-15/h1-12,14,26H,13H2
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90n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin) at IC50 in presence of ATP


Bioorg Med Chem Lett 19: 1344-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.046
BindingDB Entry DOI: 10.7270/Q2DV1JRT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50277407
PNG
(CHEMBL473288 | N-(4-bromophenyl)-4-(pyridin-4-ylme...)
Show SMILES Brc1ccc(NC(=O)c2nscc2NCc2ccncc2)cc1
Show InChI InChI=1S/C16H13BrN4OS/c17-12-1-3-13(4-2-12)20-16(22)15-14(10-23-21-15)19-9-11-5-7-18-8-6-11/h1-8,10,19H,9H2,(H,20,22)
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90n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) at IC50 concentration by ATP based competition assay


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211976
PNG
(CHEMBL397323 | N-(4-chlorophenyl)-1-(2-(pyridin-4-...)
Show SMILES Clc1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1
Show InChI InChI=1S/C17H15ClN4O/c18-14-1-3-15(4-2-14)21-17(23)16-7-11-20-22(16)12-8-13-5-9-19-10-6-13/h1-7,9-11H,8,12H2,(H,21,23)
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90n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Displacement of [32P]ATP from human VEGFR2 after 45 mins


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211992
PNG
(CHEMBL236419 | N-(4-(chlorodifluoromethoxy)phenyl)...)
Show SMILES FC(F)(Cl)Oc1cccc(NC(=O)c2ccnn2CCc2ccncc2)c1
Show InChI InChI=1S/C18H15ClF2N4O2/c19-18(20,21)27-15-3-1-2-14(12-15)24-17(26)16-6-10-23-25(16)11-7-13-4-8-22-9-5-13/h1-6,8-10,12H,7,11H2,(H,24,26)
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90n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Displacement of [32P]ATP from human VEGFR2 after 45 mins


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211983
PNG
(1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethoxy)p...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1
Show InChI InChI=1S/C18H15F3N4O2/c19-18(20,21)27-15-3-1-14(2-4-15)24-17(26)16-7-11-23-25(16)12-8-13-5-9-22-10-6-13/h1-7,9-11H,8,12H2,(H,24,26)
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90n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as inhibition of phosphorylation in presence of 2 uM ATP by HTRF assay


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211976
PNG
(CHEMBL397323 | N-(4-chlorophenyl)-1-(2-(pyridin-4-...)
Show SMILES Clc1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1
Show InChI InChI=1S/C17H15ClN4O/c18-14-1-3-15(4-2-14)21-17(23)16-7-11-20-22(16)12-8-13-5-9-19-10-6-13/h1-7,9-11H,8,12H2,(H,21,23)
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110n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as inhibition of phosphorylation in presence of 2 uM ATP by HTRF assay


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50248491
PNG
(2-(1-(3-Chlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(py...)
Show SMILES Clc1cccc(c1)-n1cc(nn1)-c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C20H16ClN5/c21-16-4-3-5-17(12-16)26-14-20(24-25-26)18-6-1-2-7-19(18)23-13-15-8-10-22-11-9-15/h1-12,14,23H,13H2
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110n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin) at IC90 in presence of ATP


Bioorg Med Chem Lett 19: 1344-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.046
BindingDB Entry DOI: 10.7270/Q2DV1JRT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50248491
PNG
(2-(1-(3-Chlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(py...)
Show SMILES Clc1cccc(c1)-n1cc(nn1)-c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C20H16ClN5/c21-16-4-3-5-17(12-16)26-14-20(24-25-26)18-6-1-2-7-19(18)23-13-15-8-10-22-11-9-15/h1-12,14,23H,13H2
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120n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin) at IC50 in presence of ATP


Bioorg Med Chem Lett 19: 1344-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.046
BindingDB Entry DOI: 10.7270/Q2DV1JRT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50277363
PNG
(CHEMBL475510 | N-(3-tert-butylphenyl)-4-(pyridin-4...)
Show SMILES CC(C)(C)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C20H22N4OS/c1-20(2,3)15-5-4-6-16(11-15)23-19(25)18-17(13-26-24-18)22-12-14-7-9-21-10-8-14/h4-11,13,22H,12H2,1-3H3,(H,23,25)
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120n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) at IC90 concentration by ATP based competition assay


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50277281
PNG
(4-(pyridin-4-ylmethylamino)-N-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C17H13F3N4OS/c18-17(19,20)12-2-1-3-13(8-12)23-16(25)15-14(10-26-24-15)22-9-11-4-6-21-7-5-11/h1-8,10,22H,9H2,(H,23,25)
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130n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) at IC90 concentration by ATP based competition assay


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211979
PNG
(CHEMBL399605 | N-(4-tert-butylphenyl)-1-(2-(pyridi...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1
Show InChI InChI=1S/C21H24N4O/c1-21(2,3)17-4-6-18(7-5-17)24-20(26)19-10-14-23-25(19)15-11-16-8-12-22-13-9-16/h4-10,12-14H,11,15H2,1-3H3,(H,24,26)
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130n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as inhibition of phosphorylation in presence of 2 uM ATP by HTRF assay


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50277363
PNG
(CHEMBL475510 | N-(3-tert-butylphenyl)-4-(pyridin-4...)
Show SMILES CC(C)(C)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C20H22N4OS/c1-20(2,3)15-5-4-6-16(11-15)23-19(25)18-17(13-26-24-18)22-12-14-7-9-21-10-8-14/h4-11,13,22H,12H2,1-3H3,(H,23,25)
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130n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) at IC50 concentration by ATP based competition assay


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50248584
PNG
(2-(1-(3-isopropylphenyl)-1H-1,2,3-triazol-4-yl)-N-...)
Show SMILES CC(C)c1cccc(c1)-n1cc(nn1)-c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C23H23N5/c1-17(2)19-6-5-7-20(14-19)28-16-23(26-27-28)21-8-3-4-9-22(21)25-15-18-10-12-24-13-11-18/h3-14,16-17,25H,15H2,1-2H3
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140n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin) at IC90 in presence of ATP


Bioorg Med Chem Lett 19: 1344-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.046
BindingDB Entry DOI: 10.7270/Q2DV1JRT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211979
PNG
(CHEMBL399605 | N-(4-tert-butylphenyl)-1-(2-(pyridi...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1
Show InChI InChI=1S/C21H24N4O/c1-21(2,3)17-4-6-18(7-5-17)24-20(26)19-10-14-23-25(19)15-11-16-8-12-22-13-9-16/h4-10,12-14H,11,15H2,1-3H3,(H,24,26)
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140n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Displacement of [32P]ATP from human VEGFR2 after 45 mins


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146483
PNG
((R)-3-({(R)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-p...)
Show SMILES OC(=O)C[C@@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1
Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)/t20-,24-/m1/s1
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154n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50277281
PNG
(4-(pyridin-4-ylmethylamino)-N-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C17H13F3N4OS/c18-17(19,20)12-2-1-3-13(8-12)23-16(25)15-14(10-26-24-15)22-9-11-4-6-21-7-5-11/h1-8,10,22H,9H2,(H,23,25)
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160n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) at IC50 concentration by ATP based competition assay


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50248584
PNG
(2-(1-(3-isopropylphenyl)-1H-1,2,3-triazol-4-yl)-N-...)
Show SMILES CC(C)c1cccc(c1)-n1cc(nn1)-c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C23H23N5/c1-17(2)19-6-5-7-20(14-19)28-16-23(26-27-28)21-8-3-4-9-22(21)25-15-18-10-12-24-13-11-18/h3-14,16-17,25H,15H2,1-2H3
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160n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin) at IC50 in presence of ATP


Bioorg Med Chem Lett 19: 1344-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.046
BindingDB Entry DOI: 10.7270/Q2DV1JRT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211972
PNG
(CHEMBL233823 | N-(3-chloro-4-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1Cl
Show InChI InChI=1S/C18H14ClF3N4O/c19-15-11-13(1-2-14(15)18(20,21)22)25-17(27)16-5-9-24-26(16)10-6-12-3-7-23-8-4-12/h1-5,7-9,11H,6,10H2,(H,25,27)
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160n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Displacement of [32P]ATP from human VEGFR2 after 45 mins


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211972
PNG
(CHEMBL233823 | N-(3-chloro-4-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1Cl
Show InChI InChI=1S/C18H14ClF3N4O/c19-15-11-13(1-2-14(15)18(20,21)22)25-17(27)16-5-9-24-26(16)10-6-12-3-7-23-8-4-12/h1-5,7-9,11H,6,10H2,(H,25,27)
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170n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as inhibition of phosphorylation in presence of 2 uM ATP by HTRF assay


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146486
PNG
((S)-3-({(S)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-p...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1
Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)/t20-,24-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50146487
PNG
(3-({(S)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-pyrro...)
Show SMILES OC(=O)C[C@@H](NC(=O)[C@@H]1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1
Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)/t20-,24+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50146490
PNG
(3-(S)-Benzo[1,3]dioxol-5-yl-3-({(R)-5-oxo-1-[3-(1,...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21|
Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28)/t16-,19+/m1/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50303803
PNG
(1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...)
Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11|
Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS


Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50324674
PNG
(1-((3aS,4S,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...)
Show SMILES CC(=O)c1ccc2N[C@@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11|
Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS


Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50146483
PNG
((R)-3-({(R)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-p...)
Show SMILES OC(=O)C[C@@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1
Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)/t20-,24-/m1/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
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