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Compile Data Set for Download or QSAR

Found 496 hits of Enz. Inhib. data with enzyme = 'Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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UniChem
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

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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)
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

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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)
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

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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)
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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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)
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

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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)
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

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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)
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

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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)
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

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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)
BDBM94076
PNG
(MLS000723152 | N-[[5-[2-(4-fluoroanilino)-2-oxoeth...)
Show SMILES Fc1ccc(NC(=O)CSc2nnc(CNC(=O)C34CC5CC(CC(C5)C3)C4)n2-c2ccccc2)cc1
Show InChI InChI=1S/C28H30FN5O2S/c29-21-6-8-22(9-7-21)31-25(35)17-37-27-33-32-24(34(27)23-4-2-1-3-5-23)16-30-26(36)28-13-18-10-19(14-28)12-20(11-18)15-28/h1-9,18-20H,10-17H2,(H,30,36)(H,31,35)
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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)
BDBM80150
PNG
(4-methyl-N'-(4-methylphenyl)benzenesulfonohydr...)
Show SMILES Cc1ccc(NNS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C14H16N2O2S/c1-11-3-7-13(8-4-11)15-16-19(17,18)14-9-5-12(2)6-10-14/h3-10,15-16H,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)
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)
BDBM94078
PNG
(MLS000519357 | SMR000129776 | [3-cyclopropyl-5-hyd...)
Show SMILES Cc1occc1C(=O)N1N=C(CC1(O)C(F)(F)F)C1CC1
Show InChI InChI=1S/C13H13F3N2O3/c1-7-9(4-5-21-7)11(19)18-12(20,13(14,15)16)6-10(17-18)8-2-3-8/h4-5,8,20H,2-3,6H2,1H3
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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)
BDBM94079
PNG
(2-ethyl-4-[4-(2-furoyl)piperazine-1-carbonyl]-6,7-...)
Show SMILES CCn1cc(C(=O)N2CCN(CC2)C(=O)c2ccco2)c2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C23H25N3O6/c1-4-24-14-17(15-12-19(30-2)20(31-3)13-16(15)21(24)27)22(28)25-7-9-26(10-8-25)23(29)18-6-5-11-32-18/h5-6,11-14H,4,7-10H2,1-3H3
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n/an/a>9.50E+4n/an/an/an/an/an/a



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)
BDBM94080
PNG
((4-cyanophenyl)methyl 5,6-bis(chloranyl)pyridine-3...)
Show SMILES Clc1cc(cnc1Cl)C(=O)OCc1ccc(cc1)C#N
Show InChI InChI=1S/C14H8Cl2N2O2/c15-12-5-11(7-18-13(12)16)14(19)20-8-10-3-1-9(6-17)2-4-10/h1-5,7H,8H2
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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)
BDBM94081
PNG
(5-methyl-2-pyrazinecarboxylic acid [2-[(3-cyano-5,...)
Show SMILES Cc1cnc(cn1)C(=O)OCC(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C16H14N4O3S/c1-9-6-19-12(7-18-9)16(22)23-8-14(21)20-15-11(5-17)10-3-2-4-13(10)24-15/h6-7H,2-4,8H2,1H3,(H,20,21)
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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)
BDBM94082
PNG
(MLS002280319 | N-[4-[[[5-(4-methylpiperidine-1-car...)
Show SMILES CC1CCN(CC1)C(=O)c1nc[nH]c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C24H33N5O4/c1-16-9-11-29(12-10-16)22(31)20-19(27-15-28-20)21(30)25-13-17-5-7-18(8-6-17)14-26-23(32)33-24(2,3)4/h5-8,15-16H,9-14H2,1-4H3,(H,25,30)(H,26,32)(H,27,28)
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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)
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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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)
BDBM94084
PNG
(1-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-piperid...)
Show SMILES COc1ccccc1N1CCN(CC1)C1CCCN(C1)C(=O)Cn1cccn1
Show InChI InChI=1S/C21H29N5O2/c1-28-20-8-3-2-7-19(20)24-14-12-23(13-15-24)18-6-4-10-25(16-18)21(27)17-26-11-5-9-22-26/h2-3,5,7-9,11,18H,4,6,10,12-17H2,1H3
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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)
BDBM94085
PNG
(3-(4-ethoxyphenoxy)propanoic acid [2-(2,2-dimethyl...)
Show SMILES CCOc1ccc(OCCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1
Show InChI InChI=1S/C23H26N2O6/c1-4-29-16-9-11-17(12-10-16)30-14-13-21(27)31-15-20(26)25-19-8-6-5-7-18(19)24-22(28)23(25,2)3/h5-12H,4,13-15H2,1-3H3,(H,24,28)
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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)
BDBM94086
PNG
(2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3...)
Show SMILES Cc1cc(C)n2c(SCC(=O)Nc3cccc(c3)S(N)(=O)=O)nnc2n1
Show InChI InChI=1S/C15H16N6O3S2/c1-9-6-10(2)21-14(17-9)19-20-15(21)25-8-13(22)18-11-4-3-5-12(7-11)26(16,23)24/h3-7H,8H2,1-2H3,(H,18,22)(H2,16,23,24)
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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)
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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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)
BDBM94088
PNG
(4-Hydroxy-2-(3-nitro-phenyl)-5-oxo-1-phenyl-2,5-di...)
Show SMILES CCOC(=O)C1C(N(C(=O)C1=O)c1ccccc1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H16N2O6/c1-2-27-19(24)15-16(12-7-6-10-14(11-12)21(25)26)20(18(23)17(15)22)13-8-4-3-5-9-13/h3-11,15-16H,2H2,1H3
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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)
BDBM94089
PNG
(4-(2-ethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro...)
Show SMILES CCOc1ccccc1C1CC(=O)NC2=C1C(=O)CC(C)(C)C2
Show InChI InChI=1S/C19H23NO3/c1-4-23-16-8-6-5-7-12(16)13-9-17(22)20-14-10-19(2,3)11-15(21)18(13)14/h5-8,13H,4,9-11H2,1-3H3,(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)
BDBM94090
PNG
((5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-N-phenyl...)
Show SMILES C[C@H]1CN=C(Nc2ccccc2)N1CCc1cccc(F)c1
Show InChI InChI=1S/C18H20FN3/c1-14-13-20-18(21-17-8-3-2-4-9-17)22(14)11-10-15-6-5-7-16(19)12-15/h2-9,12,14H,10-11,13H2,1H3,(H,20,21)/t14-/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)
BDBM94091
PNG
(1-benzyl-5-keto-N-[2-pyrrolidino-5-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(N2CCCC2)c(NC(=O)C2CN(Cc3ccccc3)C(=O)C2)c1
Show InChI InChI=1S/C23H24F3N3O2/c24-23(25,26)18-8-9-20(28-10-4-5-11-28)19(13-18)27-22(31)17-12-21(30)29(15-17)14-16-6-2-1-3-7-16/h1-3,6-9,13,17H,4-5,10-12,14-15H2,(H,27,31)
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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)
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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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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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)
BDBM94094
PNG
((1R,5S)-methyl 8-(2-acetamidoethylcarbamoyl)-3-(2-...)
Show SMILES COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O)c1ccc(F)cc1OCc1ccccc1
Show InChI InChI=1S/C27H30FN3O5/c1-17(32)29-12-13-30-27(34)31-20-9-11-23(31)25(26(33)35-2)22(15-20)21-10-8-19(28)14-24(21)36-16-18-6-4-3-5-7-18/h3-8,10,14,20,23H,9,11-13,15-16H2,1-2H3,(H,29,32)(H,30,34)/t20-,23+/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)
BDBM94095
PNG
(1-(4-chlorobenzyl)oxy-3-[2-(2-hydroxyethyl)piperid...)
Show SMILES OCCC1CCCCN1CC(O)COCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClNO3/c18-15-6-4-14(5-7-15)12-22-13-17(21)11-19-9-2-1-3-16(19)8-10-20/h4-7,16-17,20-21H,1-3,8-13H2
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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)
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

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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)
BDBM94098
PNG
(MLS003468735 | SMR002134770 | cid_3247102)
Show SMILES COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]2[C@H](CN1C(=O)c1ccccc1)Cc1c2cc(C(=O)N2CCCC2)n1CCN1CCOCC1
Show InChI InChI=1S/C37H44N4O6/c1-45-29-12-10-26(11-13-29)24-37(36(44)46-2)33-28(25-41(37)34(42)27-8-4-3-5-9-27)22-31-30(33)23-32(35(43)39-14-6-7-15-39)40(31)17-16-38-18-20-47-21-19-38/h3-5,8-13,23,28,33H,6-7,14-22,24-25H2,1-2H3/t28-,33+,37+/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)
BDBM94099
PNG
((3R,3aS,7R,7aS)-2-benzyl-3-[2-fluoro-4-[(E)-2-phen...)
Show SMILES C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(\C=C\c2ccccc2)cc1F
Show InChI InChI=1S/C30H28FNO/c1-21-9-8-14-26-28(21)30(33)32(20-24-12-6-3-7-13-24)29(26)25-18-17-23(19-27(25)31)16-15-22-10-4-2-5-11-22/h2-8,10-19,21,26,28-29H,9,20H2,1H3/b16-15+/t21-,26+,28+,29+/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)
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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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)
BDBM94101
PNG
(3,4,5-trimethoxybenzoic acid 3-(3,4,5-trimethoxybe...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCCOC(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C23H28O10/c1-26-16-10-14(11-17(27-2)20(16)30-5)22(24)32-8-7-9-33-23(25)15-12-18(28-3)21(31-6)19(13-15)29-4/h10-13H,7-9H2,1-6H3
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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)
BDBM52087
PNG
(5,5-dimethyl-2-[(Z)-3-(4-methylanilino)-1-oxoprop-...)
Show SMILES Cc1ccc(cc1)N=CCC(=O)C1C(=O)CC(C)(C)CC1=O
Show InChI InChI=1S/C18H21NO3/c1-12-4-6-13(7-5-12)19-9-8-14(20)17-15(21)10-18(2,3)11-16(17)22/h4-7,9,17H,8,10-11H2,1-3H3
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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)
BDBM94102
PNG
(2-[(3S)-5-fluoro-1,1-dioxo-2-propan-2-yl-3H-1,2-be...)
Show SMILES COC(=O)C[C@@H]1N(C(C)C)S(=O)(=O)c2ccc(F)cc12
Show InChI InChI=1S/C13H16FNO4S/c1-8(2)15-11(7-13(16)19-3)10-6-9(14)4-5-12(10)20(15,17)18/h4-6,8,11H,7H2,1-3H3/t11-/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)
BDBM94104
PNG
((3-oxidanylidene-1,2-dihydrocyclopenta[a]naphthale...)
Show SMILES CC(=O)Oc1cc2C(=O)CCc2c2ccccc12
Show InChI InChI=1S/C15H12O3/c1-9(16)18-15-8-13-11(6-7-14(13)17)10-4-2-3-5-12(10)15/h2-5,8H,6-7H2,1H3
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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)
BDBM94105
PNG
(3-(3-chloranyl-4-fluoranyl-phenyl)-N-(3-morpholin-...)
Show SMILES Fc1ccc(cc1Cl)-n1c(=S)[nH]c2cc(ccc2c1=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C22H22ClFN4O3S/c23-17-13-15(3-5-18(17)24)28-21(30)16-4-2-14(12-19(16)26-22(28)32)20(29)25-6-1-7-27-8-10-31-11-9-27/h2-5,12-13H,1,6-11H2,(H,25,29)(H,26,32)
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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)
BDBM94106
PNG
(2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-N-(...)
Show SMILES Clc1ccc2nc(SCC(=O)NCCc3ccccc3)[nH]c2c1
Show InChI InChI=1S/C17H16ClN3OS/c18-13-6-7-14-15(10-13)21-17(20-14)23-11-16(22)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,22)(H,20,21)
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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)
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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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)
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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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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