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PubChem AID 651650

Compile Data Set for Download or QSAR

Found 496 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
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94385
PNG
((2-Allyloxy-3-ethoxy-benzyl)-(1H-[1,2,4]triazol-3-...)
Show SMILES CCOc1cccc(CNc2nnc[nH]2)c1OCC=C
Show InChI InChI=1S/C14H18N4O2/c1-3-8-20-13-11(6-5-7-12(13)19-4-2)9-15-14-16-10-17-18-14/h3,5-7,10H,1,4,8-9H2,2H3,(H2,15,16,17,18)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94103
PNG
(4-(4-methoxyphenoxy)-2-phenyl-5-pyrimidinecarboxyl...)
Show SMILES CCOC(=O)c1cnc(nc1Oc1ccc(OC)cc1)-c1ccccc1
Show InChI InChI=1S/C20H18N2O4/c1-3-25-20(23)17-13-21-18(14-7-5-4-6-8-14)22-19(17)26-16-11-9-15(24-2)10-12-16/h4-13H,3H2,1-2H3
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n/an/a 1.99E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94452
PNG
(2-(4-Hydroxy-5-methyl-6-oxo-1-p-tolyl-1,6-dihydro-...)
Show SMILES COc1cccc(NC(=O)CSc2nc(O)c(C)c(=O)n2-c2ccc(C)cc2)c1
Show InChI InChI=1S/C21H21N3O4S/c1-13-7-9-16(10-8-13)24-20(27)14(2)19(26)23-21(24)29-12-18(25)22-15-5-4-6-17(11-15)28-3/h4-11,26H,12H2,1-3H3,(H,22,25)
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n/an/a 2.01E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94344
PNG
(2-methyl-1-(2-pyridinyl)-1H-[1]benzopyrano[2,3-c]p...)
Show SMILES CN1C(c2c(oc3ccccc3c2=O)C1=O)c1ccccn1
Show InChI InChI=1S/C17H12N2O3/c1-19-14(11-7-4-5-9-18-11)13-15(20)10-6-2-3-8-12(10)22-16(13)17(19)21/h2-9,14H,1H3
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n/an/a 2.32E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM57642
PNG
(8-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]c...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1cccc2c1oc(-c1ccccc1)c(C)c2=O
Show InChI InChI=1S/C28H25ClN2O3/c1-18-11-12-21(29)17-24(18)30-13-15-31(16-14-30)28(33)23-10-6-9-22-25(32)19(2)26(34-27(22)23)20-7-4-3-5-8-20/h3-12,17H,13-16H2,1-2H3
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n/an/a 2.66E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM37415
PNG
(4-amino-3-ethyl-N-(3-pyridinylmethyl)-2-sulfanylid...)
Show SMILES CCn1c(N)c(sc1=S)C(=O)NCc1cccnc1
Show InChI InChI=1S/C12H14N4OS2/c1-2-16-10(13)9(19-12(16)18)11(17)15-7-8-4-3-5-14-6-8/h3-6H,2,7,13H2,1H3,(H,15,17)
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n/an/a 3.01E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94311
PNG
(2-(2-methylphenoxy)-N-(o-tolylthiocarbamoyl)acetam...)
Show SMILES Cc1ccccc1NC(=S)NC(=O)COc1ccccc1C
Show InChI InChI=1S/C17H18N2O2S/c1-12-7-3-5-9-14(12)18-17(22)19-16(20)11-21-15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3,(H2,18,19,20,22)
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n/an/a 3.38E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM50762
PNG
(1-[1-(Tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-y...)
Show SMILES C(N1CCCc2ccccc12)c1nnnn1CC1CCCO1
Show InChI InChI=1S/C16H21N5O/c1-2-8-15-13(5-1)6-3-9-20(15)12-16-17-18-19-21(16)11-14-7-4-10-22-14/h1-2,5,8,14H,3-4,6-7,9-12H2
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n/an/a 3.39E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94244
PNG
(2-[[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,...)
Show SMILES OC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H10Cl3N3O2S/c17-9-1-4-11(5-2-9)22-15(12-6-3-10(18)7-13(12)19)20-21-16(22)25-8-14(23)24/h1-7H,8H2,(H,23,24)
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n/an/a 3.44E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94216
PNG
(6-(2-furanyl)-1,5-bis(4-methylphenyl)-4-pyrazolo[3...)
Show SMILES Cc1ccc(cc1)-n1ncc2c1nc(-c1ccco1)n(-c1ccc(C)cc1)c2=O
Show InChI InChI=1S/C23H18N4O2/c1-15-5-9-17(10-6-15)26-22(20-4-3-13-29-20)25-21-19(23(26)28)14-24-27(21)18-11-7-16(2)8-12-18/h3-14H,1-2H3
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n/an/a 3.80E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94374
PNG
(2-(1,3-benzodioxol-5-ylamino)acetic acid ethyl est...)
Show SMILES CCOC(=O)CNc1ccc2OCOc2c1
Show InChI InChI=1S/C11H13NO4/c1-2-14-11(13)6-12-8-3-4-9-10(5-8)16-7-15-9/h3-5,12H,2,6-7H2,1H3
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n/an/a 3.87E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94377
PNG
(MLS000590645 | SMR000219100 | [5-(3-Chloro-phenyl)...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(o1)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H18ClN3O4/c22-16-3-1-2-15(14-16)19-8-9-20(29-19)21(26)24-12-10-23(11-13-24)17-4-6-18(7-5-17)25(27)28/h1-9,14H,10-13H2
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n/an/a 3.95E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94370
PNG
(MLS000877965 | N-(5-chloranyl-2-methoxy-phenyl)-2-...)
Show SMILES COc1ccc(Cl)cc1NC(=O)C(C)N1CCc2ccccc12
Show InChI InChI=1S/C18H19ClN2O2/c1-12(21-10-9-13-5-3-4-6-16(13)21)18(22)20-15-11-14(19)7-8-17(15)23-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)
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n/an/a 4.01E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94346
PNG
((3,3-dimethyl-2-oxidanylidene-butyl) 2-pyridin-4-y...)
Show SMILES CC(C)(C)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C21H20N2O3/c1-21(2,3)19(24)13-26-20(25)16-12-18(14-8-10-22-11-9-14)23-17-7-5-4-6-15(16)17/h4-12H,13H2,1-3H3
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n/an/a 4.05E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94296
PNG
(1,3-Dimethyl-8-(3-morpholin-4-yl-propylamino)-3,7-...)
Show SMILES Cn1c2nc(NCCCN3CCOCC3)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C14H22N6O3/c1-18-11-10(12(21)19(2)14(18)22)16-13(17-11)15-4-3-5-20-6-8-23-9-7-20/h3-9H2,1-2H3,(H2,15,16,17)
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n/an/a 5.61E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94161
PNG
(3-chloranyl-5-(3,4-dimethoxyphenyl)-7-(trifluorome...)
Show SMILES COc1ccc(cc1OC)C1CC(n2nc(C(O)=O)c(Cl)c2N1)C(F)(F)F
Show InChI InChI=1S/C16H15ClF3N3O4/c1-26-9-4-3-7(5-10(9)27-2)8-6-11(16(18,19)20)23-14(21-8)12(17)13(22-23)15(24)25/h3-5,8,11,21H,6H2,1-2H3,(H,24,25)
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n/an/a 5.75E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94077
PNG
((2S,5R,6Z)-4-(4-fluorobenzyl)-1-mesyl-5-(4-methoxy...)
Show SMILES COc1ccc(cc1)[C@H]1\C=C/CN([C@@H](C)C(=O)N1Cc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H25FN2O4S/c1-16-22(26)24(15-17-6-10-19(23)11-7-17)21(5-4-14-25(16)30(3,27)28)18-8-12-20(29-2)13-9-18/h4-13,16,21H,14-15H2,1-3H3/b5-4-/t16-,21+/m0/s1
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n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94083
PNG
(MLS001167852 | SMR000641720 | cid_7526970)
Show SMILES CCC(=O)Nc1cc2CCCN3C(=O)CCc(c1)c23
Show InChI InChI=1S/C15H18N2O2/c1-2-13(18)16-12-8-10-4-3-7-17-14(19)6-5-11(9-12)15(10)17/h8-9H,2-7H2,1H3,(H,16,18)
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n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94087
PNG
(1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,...)
Show SMILES CN(C)CCn1c2sc3CCCCCc3c2c(=O)n(-c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C21H24FN3O2S/c1-23(2)12-13-24-20-18(16-6-4-3-5-7-17(16)28-20)19(26)25(21(24)27)15-10-8-14(22)9-11-15/h8-11H,3-7,12-13H2,1-2H3
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n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94092
PNG
(MLS002279988 | SMR001318125 | cid_44142171)
Show SMILES CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](NC(=O)OC)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C21H35NO3/c1-20-9-7-14(24-3)11-13(20)5-6-15-16(20)8-10-21(2)17(15)12-18(21)22-19(23)25-4/h13-18H,5-12H2,1-4H3,(H,22,23)/t13-,14-,15+,16-,17-,18+,20-,21-/m0/s1
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n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94093
PNG
(2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]...)
Show SMILES Brc1ccc(Cc2cnc(NC(=O)CSc3nnc(-c4ccncc4)n3CC=C)s2)cc1
Show InChI InChI=1S/C22H19BrN6OS2/c1-2-11-29-20(16-7-9-24-10-8-16)27-28-22(29)31-14-19(30)26-21-25-13-18(32-21)12-15-3-5-17(23)6-4-15/h2-10,13H,1,11-12,14H2,(H,25,26,30)
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n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94096
PNG
(3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)p...)
Show SMILES Cc1cc(C)cc(c1)N(CCC(O)=O)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H21NO4S/c1-15-11-16(2)13-19(12-15)22(10-9-21(23)24)27(25,26)20-8-7-17-5-3-4-6-18(17)14-20/h3-8,11-14H,9-10H2,1-2H3,(H,23,24)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94097
PNG
(2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl...)
Show SMILES OC(=O)c1ccccc1SCC(=O)N1CCCCC1
Show InChI InChI=1S/C14H17NO3S/c16-13(15-8-4-1-5-9-15)10-19-12-7-3-2-6-11(12)14(17)18/h2-3,6-7H,1,4-5,8-10H2,(H,17,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94100
PNG
(4-[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec...)
Show SMILES [O-][N+](=O)c1cc(ccc1N1CCC2(C[C+]([N-]O2)c2ccc(Cl)cc2)CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C27H25ClN4O4/c28-22-9-6-20(7-10-22)23-17-27(36-30-23)12-14-31(15-13-27)24-11-8-21(16-25(24)32(34)35)26(33)29-18-19-4-2-1-3-5-19/h1-11,16H,12-15,17-18H2,(H,29,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94107
PNG
(MLS001193249 | N-[2-(cyclohexylamino)-2-keto-ethyl...)
Show SMILES Cc1ccc(CN(CC(=O)NC2CCCCC2)C(=O)c2csnn2)cc1
Show InChI InChI=1S/C19H24N4O2S/c1-14-7-9-15(10-8-14)11-23(19(25)17-13-26-22-21-17)12-18(24)20-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3,(H,20,24)
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94108
PNG
((5S)-1-heptyl-N-phenyl-5-(phenylmethyl)-4,5-dihydr...)
Show SMILES CCCCCCCN1[C@@H](Cc2ccccc2)CN=C1Nc1ccccc1
Show InChI InChI=1S/C23H31N3/c1-2-3-4-5-12-17-26-22(18-20-13-8-6-9-14-20)19-24-23(26)25-21-15-10-7-11-16-21/h6-11,13-16,22H,2-5,12,17-19H2,1H3,(H,24,25)/t22-/m0/s1
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94111
PNG
(1-(4-chlorobenzoyl)isonipecotic acid | 1-(4-chloro...)
Show SMILES OC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H14ClNO3/c14-11-3-1-9(2-4-11)12(16)15-7-5-10(6-8-15)13(17)18/h1-4,10H,5-8H2,(H,17,18)
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94114
PNG
(3-[4-(ethylsulfamoyl)phenyl]propanoic acid | 3-[4-...)
Show SMILES CCNS(=O)(=O)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C11H15NO4S/c1-2-12-17(15,16)10-6-3-9(4-7-10)5-8-11(13)14/h3-4,6-7,12H,2,5,8H2,1H3,(H,13,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94125
PNG
(2-(3-bromobenzoyl)-3-hydroxy-5-methyl-2-pyrazoline...)
Show SMILES CCOC(=O)C1(O)CC(C)=NN1C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H15BrN2O4/c1-3-21-13(19)14(20)8-9(2)16-17(14)12(18)10-5-4-6-11(15)7-10/h4-7,20H,3,8H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94127
PNG
(5-[1-(1-oxo-4-phenylbutyl)-2-piperidinyl]-N-(5,6,7...)
Show SMILES O=C(CCCc1ccccc1)N1CCCCC1c1cc(no1)C(=O)Nc1cccc2CCCCc12
Show InChI InChI=1S/C29H33N3O3/c33-28(18-8-12-21-10-2-1-3-11-21)32-19-7-6-17-26(32)27-20-25(31-35-27)29(34)30-24-16-9-14-22-13-4-5-15-23(22)24/h1-3,9-11,14,16,20,26H,4-8,12-13,15,17-19H2,(H,30,34)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94128
PNG
(7-(2,3-dibenzoxypropyl)-1,3-dimethyl-xanthine | 7-...)
Show SMILES Cn1c2ncn(CC(COCc3ccccc3)OCc3ccccc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H26N4O4/c1-26-22-21(23(29)27(2)24(26)30)28(17-25-22)13-20(32-15-19-11-7-4-8-12-19)16-31-14-18-9-5-3-6-10-18/h3-12,17,20H,13-16H2,1-2H3
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94130
PNG
(5-(3,5-dichlorophenyl)sulfonyl-8-phenyl-4,6-dihydr...)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N1Cc2cnnn2-c2ccc(cc2C1)-c1ccccc1
Show InChI InChI=1S/C22H16Cl2N4O2S/c23-18-9-19(24)11-21(10-18)31(29,30)27-13-17-8-16(15-4-2-1-3-5-15)6-7-22(17)28-20(14-27)12-25-26-28/h1-12H,13-14H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM42527
PNG
(2-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl...)
Show SMILES Cc1ccccc1\C=C\c1nc2ccccc2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C25H22N2O/c1-19-9-5-6-12-21(19)15-16-24-26-23-14-8-7-13-22(23)25(28)27(24)18-17-20-10-3-2-4-11-20/h2-16H,17-18H2,1H3/b16-15+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94135
PNG
(MLS001232803 | N-[(E)-1-[3-[(3-chlorobenzoyl)amino...)
Show SMILES CC(=NNC(=O)c1cc(O)ccc1O)c1cccc(NC(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C22H18ClN3O4/c1-13(25-26-22(30)19-12-18(27)8-9-20(19)28)14-4-3-7-17(11-14)24-21(29)15-5-2-6-16(23)10-15/h2-12,27-28H,1H3,(H,24,29)(H,26,30)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM75064
PNG
(2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxyl...)
Show SMILES COC(=O)C1C(C(=O)OC(C)C(=O)c2ccccc2)C(C(=O)OC)=C(C)N=C1C
Show InChI InChI=1S/C21H23NO7/c1-11-15(19(24)27-4)17(16(12(2)22-11)20(25)28-5)21(26)29-13(3)18(23)14-9-7-6-8-10-14/h6-10,13,15,17H,1-5H3
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94155
PNG
(4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-met...)
Show SMILES Cc1noc(C)c1COc1ccc(cc1)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C20H20N2O3/c1-13-5-4-6-17(11-13)21-20(23)16-7-9-18(10-8-16)24-12-19-14(2)22-25-15(19)3/h4-11H,12H2,1-3H3,(H,21,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94164
PNG
(1-(2-chloro-4,5-difluoro-phenyl)-3-[2-(3-methoxyph...)
Show SMILES COc1cccc(OCCNC(=O)Nc2cc(F)c(F)cc2Cl)c1
Show InChI InChI=1S/C16H15ClF2N2O3/c1-23-10-3-2-4-11(7-10)24-6-5-20-16(22)21-15-9-14(19)13(18)8-12(15)17/h2-4,7-9H,5-6H2,1H3,(H2,20,21,22)
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM38744
PNG
(3,4,5-triethoxy-N-(2-morpholin-4-ylethyl)benzamide...)
Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C19H30N2O5/c1-4-24-16-13-15(14-17(25-5-2)18(16)26-6-3)19(22)20-7-8-21-9-11-23-12-10-21/h13-14H,4-12H2,1-3H3,(H,20,22)
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94180
PNG
((6S)-5-[(2-fluorophenyl)methyl]-6-(phenylmethyl)-1...)
Show SMILES Fc1ccccc1CN1[C@@H](Cc2ccccc2)COCCS1(=O)=O
Show InChI InChI=1S/C18H20FNO3S/c19-18-9-5-4-8-16(18)13-20-17(12-15-6-2-1-3-7-15)14-23-10-11-24(20,21)22/h1-9,17H,10-14H2/t17-/m0/s1
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94182
PNG
((3S,4aS)-3-[2-(1-adamantylmethylamino)-2-keto-ethy...)
Show SMILES CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2
Show InChI InChI=1S/C33H48N2O4/c1-2-39-31(38)33-12-7-6-10-28(33)35(13-11-23-8-4-3-5-9-23)30(37)27(21-33)17-29(36)34-22-32-18-24-14-25(19-32)16-26(15-24)20-32/h8,10,24-27H,2-7,9,11-22H2,1H3,(H,34,36)/t24?,25?,26?,27-,32?,33+/m1/s1
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94188
PNG
((5S)-1-[2-(1-adamantyl)ethyl]-5-(4-aminobutyl)-4,5...)
Show SMILES NCCCC[C@H]1CN=C(N)N1CCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H34N4/c20-5-2-1-3-17-13-22-18(21)23(17)6-4-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,1-13,20H2,(H2,21,22)/t14?,15?,16?,17-,19?/m0/s1
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94193
PNG
(1-[3-[[2-(2-thenylamino)thieno[3,2-d]pyrimidin-4-y...)
Show SMILES O=C1CCCN1CCCNc1nc(NCc2cccs2)nc2ccsc12
Show InChI InChI=1S/C18H21N5OS2/c24-15-5-1-8-23(15)9-3-7-19-17-16-14(6-11-26-16)21-18(22-17)20-12-13-4-2-10-25-13/h2,4,6,10-11H,1,3,5,7-9,12H2,(H2,19,20,21,22)
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94196
PNG
(2-chloranyl-N-(4-morpholin-4-ylphenyl)-5-(1,2,4-tr...)
Show SMILES Clc1ccc(cc1C(=O)Nc1ccc(cc1)N1CCOCC1)-n1cnnc1
Show InChI InChI=1S/C19H18ClN5O2/c20-18-6-5-16(25-12-21-22-13-25)11-17(18)19(26)23-14-1-3-15(4-2-14)24-7-9-27-10-8-24/h1-6,11-13H,7-10H2,(H,23,26)
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n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94198
PNG
(3-[2-[acetamido-(3-methoxyphenyl)methyl]-1,3-thiaz...)
Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1csc(n1)C(NC(C)=O)c1cccc(OC)c1
Show InChI InChI=1S/C24H27N3O3S/c1-5-27(6-2)24(29)19-11-7-9-17(13-19)21-15-31-23(26-21)22(25-16(3)28)18-10-8-12-20(14-18)30-4/h7-15,22H,5-6H2,1-4H3,(H,25,28)
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n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94225
PNG
(3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-py...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CCC(=O)NCCc3ccc4ccccc4c3)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C24H27N3O5/c1-15-14-27(24(31)26-23(15)30)22-13-19(28)20(32-22)8-9-21(29)25-11-10-16-6-7-17-4-2-3-5-18(17)12-16/h2-7,12,14,19-20,22,28H,8-11,13H2,1H3,(H,25,29)(H,26,30,31)/t19-,20+,22+/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94227
PNG
((2S)-2-(1,1-diketo-5-methylene-3,4-dihydro-1,2-ben...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)N1CCC(=C)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C21H32N2O3S/c1-15(2)10-12-22-21(24)19(14-16(3)4)23-13-11-17(5)18-8-6-7-9-20(18)27(23,25)26/h6-9,15-16,19H,5,10-14H2,1-4H3,(H,22,24)/t19-/m0/s1
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n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94230
PNG
((5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-y...)
Show SMILES Cc1onc(c1C(=O)N1CCCC1)-c1ccccc1
Show InChI InChI=1S/C15H16N2O2/c1-11-13(15(18)17-9-5-6-10-17)14(16-19-11)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94231
PNG
(1-(2,4-dichlorophenyl)-3-[2-(3-methoxyphenoxy)etha...)
Show SMILES COc1cccc(OCC(=O)NNC(=S)Nc2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C16H15Cl2N3O3S/c1-23-11-3-2-4-12(8-11)24-9-15(22)20-21-16(25)19-14-6-5-10(17)7-13(14)18/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,25)
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n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94232
PNG
(MLS000102134 | N-[(1,2-dimethyl-5-indolyl)methyl]-...)
Show SMILES Cc1cc2cc(CNC(=O)c3ccco3)ccc2n1C
Show InChI InChI=1S/C16H16N2O2/c1-11-8-13-9-12(5-6-14(13)18(11)2)10-17-16(19)15-4-3-7-20-15/h3-9H,10H2,1-2H3,(H,17,19)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM77382
PNG
(7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridi...)
Show SMILES FC(F)(F)c1cc(c2ccc(Oc3ccccc3)nc2n1)C(F)(F)F
Show InChI InChI=1S/C16H8F6N2O/c17-15(18,19)11-8-12(16(20,21)22)23-14-10(11)6-7-13(24-14)25-9-4-2-1-3-5-9/h1-8H
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n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%