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PubMed code 20151671

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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
Neuropilin-1


(Homo sapiens (Human))		BDBM50313491
PNG
((S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc2nsnc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of biotinylated-VEGF-A125 from NRP1 b1 domain by cell-free assay

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313491
PNG
((S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc2nsnc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of biotinylated-VEGF-A125 from human NRP1 expressed in human DU145 cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313494
PNG
((S)-2-[(3-{3-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-...)
Show SMILES [#6]-c1nn(-[#6])c(Cl)c1-[#6]-[#7]-c1cccc(c1)S(=O)(=O)[#7]-c1ccsc1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C23H29ClN8O5S2/c1-13-16(20(24)32(2)30-13)12-28-14-5-3-6-15(11-14)39(36,37)31-17-8-10-38-19(17)21(33)29-18(22(34)35)7-4-9-27-23(25)26/h3,5-6,8,10-11,18,28,31H,4,7,9,12H2,1-2H3,(H,29,33)(H,34,35)(H4,25,26,27)/t18-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313491
PNG
((S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc2nsnc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in human A549 cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313491
PNG
((S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc2nsnc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313489
PNG
((S)-2-{[3-(2-nitro-benzenesulfonylamino)-thiophene...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1ccccc1-[#7+](-[#8-])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H20N6O7S2/c18-17(19)20-8-3-4-11(16(25)26)21-15(24)14-10(7-9-31-14)22-32(29,30)13-6-2-1-5-12(13)23(27)28/h1-2,5-7,9,11,22H,3-4,8H2,(H,21,24)(H,25,26)(H4,18,19,20)/t11-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313493
PNG
((S)-2-{[3-(1,2-Dimethyl-1H-imidazole-4-sulfonylami...)
Show SMILES [#6]-c1nc(cn1-[#6])S(=O)(=O)[#7]-c1ccsc1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C16H23N7O5S2/c1-9-20-12(8-23(9)2)30(27,28)22-10-5-7-29-13(10)14(24)21-11(15(25)26)4-3-6-19-16(17)18/h5,7-8,11,22H,3-4,6H2,1-2H3,(H,21,24)(H,25,26)(H4,17,18,19)/t11-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313484
PNG
((S)-2-{[3-(4-Amino-benzenesulfonylamino)-thiophene...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1ccc(-[#7])cc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H22N6O5S2/c18-10-3-5-11(6-4-10)30(27,28)23-12-7-9-29-14(12)15(24)22-13(16(25)26)2-1-8-21-17(19)20/h3-7,9,13,23H,1-2,8,18H2,(H,22,24)(H,25,26)(H4,19,20,21)/t13-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313483
PNG
(CHEMBL1091089 | H-KPPR-OH)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C22H40N8O5/c23-10-2-1-6-14(24)19(32)30-13-5-9-17(30)20(33)29-12-4-8-16(29)18(31)28-15(21(34)35)7-3-11-27-22(25)26/h14-17H,1-13,23-24H2,(H,28,31)(H,34,35)(H4,25,26,27)/t14-,15-,16-,17-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313485
PNG
((S)-2-{[3-(3-Amino-benzenesulfonylamino)-thiophene...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc(-[#7])c1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H22N6O5S2/c18-10-3-1-4-11(9-10)30(27,28)23-12-6-8-29-14(12)15(24)22-13(16(25)26)5-2-7-21-17(19)20/h1,3-4,6,8-9,13,23H,2,5,7,18H2,(H,22,24)(H,25,26)(H4,19,20,21)/t13-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313492
PNG
((S)-2-{[3-(Benzo[1,2,5]oxadiazole-4-sulfonylamino)...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc2nonc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H19N7O6S2/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-31-14)24-32(28,29)12-5-1-3-9-13(12)23-30-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313486
PNG
((S)-2-{[3-(2-Amino-benzenesulfonylamino)-thiophene...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1ccccc1-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H22N6O5S2/c18-10-4-1-2-6-13(10)30(27,28)23-11-7-9-29-14(11)15(24)22-12(16(25)26)5-3-8-21-17(19)20/h1-2,4,6-7,9,12,23H,3,5,8,18H2,(H,22,24)(H,25,26)(H4,19,20,21)/t12-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313481
PNG
((2S)-2-((2S)-2-((2S)-1-((6S,12S,15S)-6-acetamido-1...)
Show SMILES [#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C36H64N14O11/c1-4-21(46-30(56)22(45-20(3)51)11-7-15-42-35(38)39)29(55)49-25(18-27(52)53)31(57)47-23(10-5-6-14-37)33(59)50-17-9-13-26(50)32(58)44-19(2)28(54)48-24(34(60)61)12-8-16-43-36(40)41/h19,21-26H,4-18,37H2,1-3H3,(H,44,58)(H,45,51)(H,46,56)(H,47,57)(H,48,54)(H,49,55)(H,52,53)(H,60,61)(H4,38,39,42)(H4,40,41,43)/t19-,21?,22-,23-,24-,25-,26-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313487
PNG
((S)-2-{[3-(4-Acetylamino-benzenesulfonylamino)-thi...)
Show SMILES [#6]-[#6](=O)-[#7]-c1ccc(cc1)S(=O)(=O)[#7]-c1ccsc1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C19H24N6O6S2/c1-11(26)23-12-4-6-13(7-5-12)33(30,31)25-14-8-10-32-16(14)17(27)24-15(18(28)29)3-2-9-22-19(20)21/h4-8,10,15,25H,2-3,9H2,1H3,(H,23,26)(H,24,27)(H,28,29)(H4,20,21,22)/t15-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313491
PNG
((S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc2nsnc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of biotinylated-VEGF-A125 from human NRP1 expressed in HUVEC

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313482
PNG
(CHEMBL1090056 | H-KPAR-OH)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C20H38N8O5/c1-12(16(29)27-14(19(32)33)7-4-10-25-20(23)24)26-17(30)15-8-5-11-28(15)18(31)13(22)6-2-3-9-21/h12-15H,2-11,21-22H2,1H3,(H,26,30)(H,27,29)(H,32,33)(H4,23,24,25)/t12-,13-,14-,15-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313490
PNG
((S)-2-{[3-(2,4-Difluoro-benzenesulfonylamino)-thio...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1ccc(F)cc1F)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H19F2N5O5S2/c18-9-3-4-13(10(19)8-9)31(28,29)24-11-5-7-30-14(11)15(25)23-12(16(26)27)2-1-6-22-17(20)21/h3-5,7-8,12,24H,1-2,6H2,(H,23,25)(H,26,27)(H4,20,21,22)/t12-/m0/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))		BDBM50313488
PNG
((S)-2-{[3-(4-nitro-benzenesulfonylamino)-thiophene...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1ccc(cc1)-[#7+](-[#8-])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H20N6O7S2/c18-17(19)20-8-1-2-13(16(25)26)21-15(24)14-12(7-9-31-14)22-32(29,30)11-5-3-10(4-6-11)23(27)28/h3-7,9,13,22H,1-2,8H2,(H,21,24)(H,25,26)(H4,18,19,20)/t13-/m0/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells

J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%