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Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'poigny' and Initial = 's'   
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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191171
PNG
(2-(4-flurophenyl)-1,10b-dihydro-benzo[e]pyrazolo[1...)
Show SMILES CCCN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccc(F)cc1 |c:20|
Show InChI InChI=1S/C23H26FN3O/c1-2-13-26-14-11-23(12-15-26)27-21(19-5-3-4-6-22(19)28-23)16-20(25-27)17-7-9-18(24)10-8-17/h3-10,21H,2,11-16H2,1H3
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n/an/a 1.80n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191182
PNG
(1-propyl-4'-(pyridin-4-yl)-8'-oxa-5',6'-diazaspiro...)
Show SMILES CCCN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccncc1 |c:20|
Show InChI InChI=1S/C22H26N4O/c1-2-13-25-14-9-22(10-15-25)26-20(18-5-3-4-6-21(18)27-22)16-19(24-26)17-7-11-23-12-8-17/h3-8,11-12,20H,2,9-10,13-16H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191179
PNG
(1-(2-phenylethyl)-4'-(pyridin-4-yl)-8'-oxa-5',6'-d...)
Show SMILES C(Cc1ccccc1)N1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccncc1 |c:26|
Show InChI InChI=1S/C27H28N4O/c1-2-6-21(7-3-1)12-17-30-18-13-27(14-19-30)31-25(23-8-4-5-9-26(23)32-27)20-24(29-31)22-10-15-28-16-11-22/h1-11,15-16,25H,12-14,17-20H2
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n/an/a 16n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191173
PNG
(1-(2-methylpropyl)-4'-(pyridin-4-yl)-8'-oxa-5',6'-...)
Show SMILES CC(C)CN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccncc1 |c:21|
Show InChI InChI=1S/C23H28N4O/c1-17(2)16-26-13-9-23(10-14-26)27-21(19-5-3-4-6-22(19)28-23)15-20(25-27)18-7-11-24-12-8-18/h3-8,11-12,17,21H,9-10,13-16H2,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191181
PNG
(12'-fluoro-4'-(4-fluorophenyl)-1-propyl-8'-oxa-5',...)
Show SMILES CCCN1CCC2(CC1)Oc1ccc(F)cc1C1CC(=NN21)c1ccc(F)cc1 |c:21|
Show InChI InChI=1S/C23H25F2N3O/c1-2-11-27-12-9-23(10-13-27)28-21(19-14-18(25)7-8-22(19)29-23)15-20(26-28)16-3-5-17(24)6-4-16/h3-8,14,21H,2,9-13,15H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191208
PNG
(12'-bromo-4'-(4-fluorophenyl)-1-propyl-8'-oxa-5',6...)
Show SMILES CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(F)cc1 |c:21|
Show InChI InChI=1S/C23H25BrFN3O/c1-2-11-27-12-9-23(10-13-27)28-21(19-14-17(24)5-8-22(19)29-23)15-20(26-28)16-3-6-18(25)7-4-16/h3-8,14,21H,2,9-13,15H2,1H3
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n/an/a 29n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191194
PNG
(12'-bromo-4'-(4-fluorophenyl)-1-methyl-8'-oxa-5',6...)
Show SMILES CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(F)cc1 |c:19|
Show InChI InChI=1S/C21H21BrFN3O/c1-25-10-8-21(9-11-25)26-19(17-12-15(22)4-7-20(17)27-21)13-18(24-26)14-2-5-16(23)6-3-14/h2-7,12,19H,8-11,13H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191191
PNG
(12'-chloro-4'-(4-fluorophenyl)-1-propyl-8'-oxa-5',...)
Show SMILES CCCN1CCC2(CC1)Oc1ccc(Cl)cc1C1CC(=NN21)c1ccc(F)cc1 |c:21|
Show InChI InChI=1S/C23H25ClFN3O/c1-2-11-27-12-9-23(10-13-27)28-21(19-14-17(24)5-8-22(19)29-23)15-20(26-28)16-3-6-18(25)7-4-16/h3-8,14,21H,2,9-13,15H2,1H3
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n/an/a 32n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191196
PNG
(1-ethyl-4'-(pyridin-4-yl)-8'-oxa-5',6'-diazaspiro[...)
Show SMILES CCN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccncc1 |c:19|
Show InChI InChI=1S/C21H24N4O/c1-2-24-13-9-21(10-14-24)25-19(17-5-3-4-6-20(17)26-21)15-18(23-25)16-7-11-22-12-8-16/h3-8,11-12,19H,2,9-10,13-15H2,1H3
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n/an/a 42n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191209
PNG
(4'-(4-fluorophenyl)-10'-methoxy-1-methyl-8'-oxa-5'...)
Show SMILES COc1cccc2C3CC(=NN3C3(CCN(C)CC3)Oc12)c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C22H24FN3O2/c1-25-12-10-22(11-13-25)26-19(17-4-3-5-20(27-2)21(17)28-22)14-18(24-26)15-6-8-16(23)9-7-15/h3-9,19H,10-14H2,1-2H3
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n/an/a 46n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191188
PNG
(1-methyl-4'-phenyl-8'-oxa-5',6'-diazaspiro[piperid...)
Show SMILES CN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccccc1 |c:18|
Show InChI InChI=1S/C21H23N3O/c1-23-13-11-21(12-14-23)24-19(17-9-5-6-10-20(17)25-21)15-18(22-24)16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
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n/an/a 50n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button mushroom))
BDBM240726
PNG
(US9422261, Compound 4)
Show SMILES CC(c1ccsc1)c1ccc(O)cc1O
Show InChI InChI=1S/C12H12O2S/c1-8(9-4-5-15-7-9)11-3-2-10(13)6-12(11)14/h2-8,13-14H,1H3
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n/an/a 80n/an/an/an/a6.8n/a



PIERRE FABRE DERMO-COSMETIQUE

US Patent


Assay Description
Reader: Synergy HT program: tyrosinase 280-490 kinetics: kinetics over 45 minutes, reading at t=10 minutes, Tests in transparent 96-well plates, Phos...


US Patent US9422261 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QMS
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button mushroom))
BDBM240723
PNG
(US9422261, Compound 1)
Show SMILES CC(c1cccs1)c1ccc(O)cc1O
Show InChI InChI=1S/C12H12O2S/c1-8(12-3-2-6-15-12)10-5-4-9(13)7-11(10)14/h2-8,13-14H,1H3
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n/an/a 90n/an/an/an/a6.8n/a



PIERRE FABRE DERMO-COSMETIQUE

US Patent


Assay Description
Reader: Synergy HT program: tyrosinase 280-490 kinetics: kinetics over 45 minutes, reading at t=10 minutes, Tests in transparent 96-well plates, Phos...


US Patent US9422261 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191178
PNG
(12'-bromo-1-methyl-4'-phenyl-8'-oxa-5',6'-diazaspi...)
Show SMILES CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccccc1 |c:19|
Show InChI InChI=1S/C21H22BrN3O/c1-24-11-9-21(10-12-24)25-19(17-13-16(22)7-8-20(17)26-21)14-18(23-25)15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3
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n/an/a 92n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191212
PNG
(1-methyl-4'-(pyridin-4-yl)-8'-oxa-5',6'-diazaspiro...)
Show SMILES CN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccncc1 |c:18|
Show InChI InChI=1S/C20H22N4O/c1-23-12-8-20(9-13-23)24-18(16-4-2-3-5-19(16)25-20)14-17(22-24)15-6-10-21-11-7-15/h2-7,10-11,18H,8-9,12-14H2,1H3
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n/an/a 95n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191187
PNG
(12'-bromo-4'-(4-chlorophenyl)-1-methyl-8'-oxa-5',6...)
Show SMILES CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(Cl)cc1 |c:19|
Show InChI InChI=1S/C21H21BrClN3O/c1-25-10-8-21(9-11-25)26-19(17-12-15(22)4-7-20(17)27-21)13-18(24-26)14-2-5-16(23)6-3-14/h2-7,12,19H,8-11,13H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button mushroom))
BDBM240731
PNG
(US9422261, 4-(1- phenylethyl) benzene-1,3- diol)
Show SMILES CC(c1ccccc1)c1ccc(O)cc1O
Show InChI InChI=1S/C14H14O2/c1-10(11-5-3-2-4-6-11)13-8-7-12(15)9-14(13)16/h2-10,15-16H,1H3
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n/an/a 100n/an/an/an/a6.8n/a



PIERRE FABRE DERMO-COSMETIQUE

US Patent


Assay Description
Reader: Synergy HT program: tyrosinase 280-490 kinetics: kinetics over 45 minutes, reading at t=10 minutes, Tests in transparent 96-well plates, Phos...


US Patent US9422261 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191180
PNG
(4'-(4-fluorophenyl)-12'-methyl-1-propyl-8'-oxa-5',...)
Show SMILES CCCN1CCC2(CC1)Oc1ccc(C)cc1C1CC(=NN21)c1ccc(F)cc1 |c:21|
Show InChI InChI=1S/C24H28FN3O/c1-3-12-27-13-10-24(11-14-27)28-22(20-15-17(2)4-9-23(20)29-24)16-21(26-28)18-5-7-19(25)8-6-18/h4-9,15,22H,3,10-14,16H2,1-2H3
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n/an/a 115n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191175
PNG
(4'-(4-chlorophenyl)-1-(propan-2-yl)-8'-oxa-5',6'-d...)
Show SMILES CC(C)N1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccc(Cl)cc1 |c:20|
Show InChI InChI=1S/C23H26ClN3O/c1-16(2)26-13-11-23(12-14-26)27-21(19-5-3-4-6-22(19)28-23)15-20(25-27)17-7-9-18(24)10-8-17/h3-10,16,21H,11-15H2,1-2H3
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n/an/a 133n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191211
PNG
(12'-bromo-4'-[4-(difluoromethoxy)phenyl]-1-methyl-...)
Show SMILES CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(OC(F)F)cc1 |c:19|
Show InChI InChI=1S/C22H22BrF2N3O2/c1-27-10-8-22(9-11-27)28-19(17-12-15(23)4-7-20(17)30-22)13-18(26-28)14-2-5-16(6-3-14)29-21(24)25/h2-7,12,19,21H,8-11,13H2,1H3
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n/an/a 175n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191172
PNG
(12'-bromo-4'-(4-methoxyphenyl)-1-propyl-8'-oxa-5',...)
Show SMILES CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(OC)cc1 |c:21|
Show InChI InChI=1S/C24H28BrN3O2/c1-3-12-27-13-10-24(11-14-27)28-22(20-15-18(25)6-9-23(20)30-24)16-21(26-28)17-4-7-19(29-2)8-5-17/h4-9,15,22H,3,10-14,16H2,1-2H3
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n/an/a 179n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191185
PNG
(12'-bromo-4'-phenyl-1-(propan-2-yl)-8'-oxa-5',6'-d...)
Show SMILES CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccccc1 |c:21|
Show InChI InChI=1S/C23H26BrN3O/c1-16(2)26-12-10-23(11-13-26)27-21(19-14-18(24)8-9-22(19)28-23)15-20(25-27)17-6-4-3-5-7-17/h3-9,14,16,21H,10-13,15H2,1-2H3
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n/an/a 188n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button mushroom))
BDBM240725
PNG
(US9422261, Compound 3)
Show SMILES CC(c1cccnc1)c1ccc(O)cc1O
Show InChI InChI=1S/C13H13NO2/c1-9(10-3-2-6-14-8-10)12-5-4-11(15)7-13(12)16/h2-9,15-16H,1H3
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n/an/a 200n/an/an/an/a6.8n/a



PIERRE FABRE DERMO-COSMETIQUE

US Patent


Assay Description
Reader: Synergy HT program: tyrosinase 280-490 kinetics: kinetics over 45 minutes, reading at t=10 minutes, Tests in transparent 96-well plates, Phos...


US Patent US9422261 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191204
PNG
(4'-(4-chlorophenyl)-1-methyl-8'-oxa-5',6'-diazaspi...)
Show SMILES CN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccc(Cl)cc1 |c:18|
Show InChI InChI=1S/C21H22ClN3O/c1-24-12-10-21(11-13-24)25-19(17-4-2-3-5-20(17)26-21)14-18(23-25)15-6-8-16(22)9-7-15/h2-9,19H,10-14H2,1H3
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n/an/a 280n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191206
PNG
(1-benzyl-4'-(4-chlorophenyl)-8'-oxa-5',6'-diazaspi...)
Show SMILES Clc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC21CCN(Cc2ccccc2)CC1 |t:8|
Show InChI InChI=1S/C27H26ClN3O/c28-22-12-10-21(11-13-22)24-18-25-23-8-4-5-9-26(23)32-27(31(25)29-24)14-16-30(17-15-27)19-20-6-2-1-3-7-20/h1-13,25H,14-19H2
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n/an/a 350n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button mushroom))
BDBM240724
PNG
(US9422261, Compound 2)
Show SMILES CC(c1ccccn1)c1ccc(O)cc1O
Show InChI InChI=1S/C13H13NO2/c1-9(12-4-2-3-7-14-12)11-6-5-10(15)8-13(11)16/h2-9,15-16H,1H3
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n/an/a 400n/an/an/an/a6.8n/a



PIERRE FABRE DERMO-COSMETIQUE

US Patent


Assay Description
Reader: Synergy HT program: tyrosinase 280-490 kinetics: kinetics over 45 minutes, reading at t=10 minutes, Tests in transparent 96-well plates, Phos...


US Patent US9422261 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191210
PNG
(4'-(4-bromophenyl)-1-methyl-8'-oxa-5',6'-diazaspir...)
Show SMILES CN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccc(Br)cc1 |c:18|
Show InChI InChI=1S/C21H22BrN3O/c1-24-12-10-21(11-13-24)25-19(17-4-2-3-5-20(17)26-21)14-18(23-25)15-6-8-16(22)9-7-15/h2-9,19H,10-14H2,1H3
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n/an/a 426n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191199
PNG
(12'-bromo-4'-[2-(difluoromethoxy)phenyl]-1-methyl-...)
Show SMILES CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccccc1OC(F)F |c:19|
Show InChI InChI=1S/C22H22BrF2N3O2/c1-27-10-8-22(9-11-27)28-18(16-12-14(23)6-7-20(16)30-22)13-17(26-28)15-4-2-3-5-19(15)29-21(24)25/h2-7,12,18,21H,8-11,13H2,1H3
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n/an/a 427n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191176
PNG
(4'-(2-chlorophenyl)-1-propyl-8'-oxa-5',6'-diazaspi...)
Show SMILES CCCN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccccc1Cl |c:20|
Show InChI InChI=1S/C23H26ClN3O/c1-2-13-26-14-11-23(12-15-26)27-21(18-8-4-6-10-22(18)28-23)16-20(25-27)17-7-3-5-9-19(17)24/h3-10,21H,2,11-16H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191192
PNG
(12'-bromo-4'-(3,4-dichlorophenyl)-1-methyl-8'-oxa-...)
Show SMILES CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(Cl)c(Cl)c1 |c:19|
Show InChI InChI=1S/C21H20BrCl2N3O/c1-26-8-6-21(7-9-26)27-19(15-11-14(22)3-5-20(15)28-21)12-18(25-27)13-2-4-16(23)17(24)10-13/h2-5,10-11,19H,6-9,12H2,1H3
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n/an/a 542n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191186
PNG
(4'-(2-chlorophenyl)-1-methyl-8'-oxa-5',6'-diazaspi...)
Show SMILES CN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccccc1Cl |c:18|
Show InChI InChI=1S/C21H22ClN3O/c1-24-12-10-21(11-13-24)25-19(16-7-3-5-9-20(16)26-21)14-18(23-25)15-6-2-4-8-17(15)22/h2-9,19H,10-14H2,1H3
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n/an/a 753n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191195
PNG
(12'-bromo-4'-(4-bromophenyl)-1-propyl-8'-oxa-5',6'...)
Show SMILES CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(Br)cc1 |c:21|
Show InChI InChI=1S/C23H25Br2N3O/c1-2-11-27-12-9-23(10-13-27)28-21(19-14-18(25)7-8-22(19)29-23)15-20(26-28)16-3-5-17(24)6-4-16/h3-8,14,21H,2,9-13,15H2,1H3
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n/an/a 791n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191207
PNG
(12'-bromo-4'-(2-chlorophenyl)-1-methyl-8'-oxa-5',6...)
Show SMILES CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccccc1Cl |c:19|
Show InChI InChI=1S/C21H21BrClN3O/c1-25-10-8-21(9-11-25)26-19(16-12-14(22)6-7-20(16)27-21)13-18(24-26)15-4-2-3-5-17(15)23/h2-7,12,19H,8-11,13H2,1H3
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n/an/a 856n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button mushroom))
BDBM50248158
PNG
(CHEMBL450195 | N-butylresorcinol | US8993596, 4-Bu...)
Show SMILES CCCCc1ccc(O)cc1O
Show InChI InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3
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n/an/a 1.00E+3n/an/an/an/a6.8n/a



PIERRE FABRE DERMO-COSMETIQUE

US Patent


Assay Description
Reader: Synergy HT program: tyrosinase 280-490 kinetics: kinetics over 45 minutes, reading at t=10 minutes, Tests in transparent 96-well plates, Phos...


US Patent US9422261 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QMS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191203
PNG
(4'-(4-bromophenyl)-10'-methoxy-1-methyl-8'-oxa-5',...)
Show SMILES COc1cccc2C3CC(=NN3C3(CCN(C)CC3)Oc12)c1ccc(Br)cc1 |c:9|
Show InChI InChI=1S/C22H24BrN3O2/c1-25-12-10-22(11-13-25)26-19(17-4-3-5-20(27-2)21(17)28-22)14-18(24-26)15-6-8-16(23)9-7-15/h3-9,19H,10-14H2,1-2H3
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n/an/a 1.28E+3n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50191193
PNG
(4'-(4-chlorophenyl)-10'-methoxy-1-methyl-8'-oxa-5'...)
Show SMILES COc1cccc2C3CC(=NN3C3(CCN(C)CC3)Oc12)c1ccc(Cl)cc1 |c:9|
Show InChI InChI=1S/C22H24ClN3O2/c1-25-12-10-22(11-13-25)26-19(17-4-3-5-20(27-2)21(17)28-22)14-18(24-26)15-6-8-16(23)9-7-15/h3-9,19H,10-14H2,1-2H3
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n/an/a 1.47E+3n/an/an/an/an/an/a



Hopital Saint-Louis

Curated by ChEMBL


Assay Description
Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release


Bioorg Med Chem Lett 16: 4830-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.068
BindingDB Entry DOI: 10.7270/Q2BV7G7X
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button mushroom))
BDBM240727
PNG
(US9422261, Compound 5)
Show SMILES CC(c1nccs1)c1ccc(O)cc1O
Show InChI InChI=1S/C11H11NO2S/c1-7(11-12-4-5-15-11)9-3-2-8(13)6-10(9)14/h2-7,13-14H,1H3
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n/an/a 1.50E+3n/an/an/an/a6.8n/a



PIERRE FABRE DERMO-COSMETIQUE

US Patent


Assay Description
Reader: Synergy HT program: tyrosinase 280-490 kinetics: kinetics over 45 minutes, reading at t=10 minutes, Tests in transparent 96-well plates, Phos...


US Patent US9422261 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QMS
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50188974
PNG
(5-chloro-3-(phenethylamino)-2-(pyridin-2-yl)indoli...)
Show SMILES Clc1cccc2c(C#N)c(c(NCCc3ccccc3)n12)-c1ccccn1
Show InChI InChI=1S/C22H17ClN4/c23-20-11-6-10-19-17(15-24)21(18-9-4-5-13-25-18)22(27(19)20)26-14-12-16-7-2-1-3-8-16/h1-11,13,26H,12,14H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pierre Fabre Urologie

Curated by ChEMBL


Assay Description
Inhibition of VEGF165-NRP1 interaction by ELISA


Bioorg Med Chem Lett 16: 3998-4001 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.014
BindingDB Entry DOI: 10.7270/Q20Z72WD
More data for this
Ligand-Target Pair
Polyphenol oxidase 1


(Agaricus bisporus (White button mushroom))
BDBM240729
PNG
(US9422261, Unigen resorcinol derivative | US968291...)
Show SMILES Oc1ccc(Cc2cccnc2)c(O)c1
Show InChI InChI=1S/C12H11NO2/c14-11-4-3-10(12(15)7-11)6-9-2-1-5-13-8-9/h1-5,7-8,14-15H,6H2
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n/an/a 2.00E+3n/an/an/an/a6.8n/a



PIERRE FABRE DERMO-COSMETIQUE

US Patent


Assay Description
Reader: Synergy HT program: tyrosinase 280-490 kinetics: kinetics over 45 minutes, reading at t=10 minutes, Tests in transparent 96-well plates, Phos...


US Patent US9422261 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QMS
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50188968
PNG
(5-chloro-3-(phenethylamino)-2-phenylindolizine-1-c...)
Show SMILES Clc1cccc2c(C#N)c(c(NCCc3ccccc3)n12)-c1ccccc1
Show InChI InChI=1S/C23H18ClN3/c24-21-13-7-12-20-19(16-25)22(18-10-5-2-6-11-18)23(27(20)21)26-15-14-17-8-3-1-4-9-17/h1-13,26H,14-15H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pierre Fabre Urologie

Curated by ChEMBL


Assay Description
Inhibition of VEGF165-NRP1 interaction by ELISA


Bioorg Med Chem Lett 16: 3998-4001 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.014
BindingDB Entry DOI: 10.7270/Q20Z72WD
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50188970
PNG
(5-chloro-2-(4-chlorophenyl)-3-(phenethylamino)indo...)
Show SMILES Clc1ccc(cc1)-c1c(C#N)c2cccc(Cl)n2c1NCCc1ccccc1
Show InChI InChI=1S/C23H17Cl2N3/c24-18-11-9-17(10-12-18)22-19(15-26)20-7-4-8-21(25)28(20)23(22)27-14-13-16-5-2-1-3-6-16/h1-12,27H,13-14H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pierre Fabre Urologie

Curated by ChEMBL


Assay Description
Inhibition of VEGF165-NRP1 interaction by ELISA


Bioorg Med Chem Lett 16: 3998-4001 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.014
BindingDB Entry DOI: 10.7270/Q20Z72WD
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50189004
PNG
(5-chloro-2-phenethyl-3-(phenethylamino)indolizine-...)
Show SMILES Clc1cccc2c(C#N)c(CCc3ccccc3)c(NCCc3ccccc3)n12
Show InChI InChI=1S/C25H22ClN3/c26-24-13-7-12-23-22(18-27)21(15-14-19-8-3-1-4-9-19)25(29(23)24)28-17-16-20-10-5-2-6-11-20/h1-13,28H,14-17H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pierre Fabre Urologie

Curated by ChEMBL


Assay Description
Inhibition of VEGF165-NRP1 interaction by ELISA


Bioorg Med Chem Lett 16: 3998-4001 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.014
BindingDB Entry DOI: 10.7270/Q20Z72WD
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50188994
PNG
(5-chloro-2-(3-fluorophenyl)-3-(phenethylamino)indo...)
Show SMILES Fc1cccc(c1)-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N
Show InChI InChI=1S/C23H17ClFN3/c24-21-11-5-10-20-19(15-26)22(17-8-4-9-18(25)14-17)23(28(20)21)27-13-12-16-6-2-1-3-7-16/h1-11,14,27H,12-13H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pierre Fabre Urologie

Curated by ChEMBL


Assay Description
Inhibition of VEGF165-NRP1 interaction by ELISA


Bioorg Med Chem Lett 16: 3998-4001 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.014
BindingDB Entry DOI: 10.7270/Q20Z72WD
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50188998
PNG
(5-chloro-2-(3-methoxyphenyl)-3-(phenethylamino)ind...)
Show SMILES COc1cccc(c1)-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N
Show InChI InChI=1S/C24H20ClN3O/c1-29-19-10-5-9-18(15-19)23-20(16-26)21-11-6-12-22(25)28(21)24(23)27-14-13-17-7-3-2-4-8-17/h2-12,15,27H,13-14H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pierre Fabre Urologie

Curated by ChEMBL


Assay Description
Inhibition of VEGF165-NRP1 interaction by ELISA


Bioorg Med Chem Lett 16: 3998-4001 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.014
BindingDB Entry DOI: 10.7270/Q20Z72WD
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50188969
PNG
(5-chloro-2-(2-methoxyphenyl)-3-(phenethylamino)ind...)
Show SMILES COc1ccccc1-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N |(-1.89,-6.21,;-2.65,-7.54,;-1.88,-8.87,;-.34,-8.87,;.44,-10.2,;-.33,-11.54,;-1.87,-11.54,;-2.63,-10.2,;-4.17,-10.2,;-5.08,-11.45,;-4.6,-12.91,;-3.09,-13.23,;-2.62,-14.69,;-1.11,-15.02,;-.64,-16.48,;.86,-16.8,;1.9,-15.66,;1.41,-14.18,;-.09,-13.87,;-6.54,-10.97,;-7.87,-11.73,;-7.87,-13.27,;-9.2,-10.97,;-9.2,-9.43,;-7.87,-8.65,;-6.54,-9.43,;-5.08,-8.95,;-4.6,-7.49,;-4.12,-6.03,)|
Show InChI InChI=1S/C24H20ClN3O/c1-29-21-12-6-5-10-18(21)23-19(16-26)20-11-7-13-22(25)28(20)24(23)27-15-14-17-8-3-2-4-9-17/h2-13,27H,14-15H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pierre Fabre Urologie

Curated by ChEMBL


Assay Description
Inhibition of VEGF165-NRP1 interaction by ELISA


Bioorg Med Chem Lett 16: 3998-4001 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.014
BindingDB Entry DOI: 10.7270/Q20Z72WD
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50188971
PNG
(5-chloro-2-(4-(methylthio)phenyl)-3-(phenethylamin...)
Show SMILES CSc1ccc(cc1)-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N
Show InChI InChI=1S/C24H20ClN3S/c1-29-19-12-10-18(11-13-19)23-20(16-26)21-8-5-9-22(25)28(21)24(23)27-15-14-17-6-3-2-4-7-17/h2-13,27H,14-15H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pierre Fabre Urologie

Curated by ChEMBL


Assay Description
Inhibition of VEGF165-NRP1 interaction by ELISA


Bioorg Med Chem Lett 16: 3998-4001 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.014
BindingDB Entry DOI: 10.7270/Q20Z72WD
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50188985
PNG
(5-chloro-2-(3-chlorophenyl)-3-(phenethylamino)indo...)
Show SMILES Clc1cccc(c1)-c1c(C#N)c2cccc(Cl)n2c1NCCc1ccccc1
Show InChI InChI=1S/C23H17Cl2N3/c24-18-9-4-8-17(14-18)22-19(15-26)20-10-5-11-21(25)28(20)23(22)27-13-12-16-6-2-1-3-7-16/h1-11,14,27H,12-13H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pierre Fabre Urologie

Curated by ChEMBL


Assay Description
Inhibition of VEGF165-NRP1 interaction by ELISA


Bioorg Med Chem Lett 16: 3998-4001 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.014
BindingDB Entry DOI: 10.7270/Q20Z72WD
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50188979
PNG
(3-(2-chlorophenethylamino)-5-chloro-2-phenylindoli...)
Show SMILES Clc1ccccc1CCNc1c(c(C#N)c2cccc(Cl)n12)-c1ccccc1
Show InChI InChI=1S/C23H17Cl2N3/c24-19-10-5-4-7-16(19)13-14-27-23-22(17-8-2-1-3-9-17)18(15-26)20-11-6-12-21(25)28(20)23/h1-12,27H,13-14H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pierre Fabre Urologie

Curated by ChEMBL


Assay Description
Inhibition of VEGF165-NRP1 interaction by ELISA


Bioorg Med Chem Lett 16: 3998-4001 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.014
BindingDB Entry DOI: 10.7270/Q20Z72WD
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50188967
PNG
(5-chloro-2-(2-chlorophenyl)-3-(phenethylamino)indo...)
Show SMILES Clc1ccccc1-c1c(C#N)c2cccc(Cl)n2c1NCCc1ccccc1 |(10.98,-7.54,;11.76,-8.87,;13.29,-8.87,;14.07,-10.2,;13.3,-11.54,;11.76,-11.54,;11,-10.2,;9.46,-10.2,;8.56,-8.95,;9.03,-7.49,;9.51,-6.03,;7.09,-9.43,;5.76,-8.65,;4.43,-9.43,;4.43,-10.97,;5.76,-11.73,;5.76,-13.27,;7.09,-10.97,;8.56,-11.45,;9.03,-12.91,;10.54,-13.23,;11.02,-14.7,;12.52,-15.02,;12.99,-16.48,;14.5,-16.8,;15.53,-15.66,;15.05,-14.19,;13.54,-13.87,)|
Show InChI InChI=1S/C23H17Cl2N3/c24-19-10-5-4-9-17(19)22-18(15-26)20-11-6-12-21(25)28(20)23(22)27-14-13-16-7-2-1-3-8-16/h1-12,27H,13-14H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pierre Fabre Urologie

Curated by ChEMBL


Assay Description
Inhibition of VEGF165-NRP1 interaction by ELISA


Bioorg Med Chem Lett 16: 3998-4001 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.014
BindingDB Entry DOI: 10.7270/Q20Z72WD
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50188990
PNG
(5-chloro-2-(2-fluorophenyl)-3-(phenethylamino)indo...)
Show SMILES Fc1ccccc1-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N |(25.38,-7.61,;26.16,-8.94,;27.69,-8.93,;28.47,-10.27,;27.7,-11.6,;26.16,-11.6,;25.4,-10.26,;23.86,-10.26,;22.96,-11.51,;23.43,-12.97,;24.94,-13.29,;25.41,-14.76,;26.92,-15.08,;27.39,-16.54,;28.9,-16.86,;29.93,-15.72,;29.45,-14.25,;27.94,-13.93,;21.49,-11.03,;20.16,-11.79,;20.16,-13.33,;18.83,-11.03,;18.83,-9.49,;20.16,-8.71,;21.49,-9.49,;22.96,-9.01,;23.43,-7.55,;23.91,-6.09,)|
Show InChI InChI=1S/C23H17ClFN3/c24-21-12-6-11-20-18(15-26)22(17-9-4-5-10-19(17)25)23(28(20)21)27-14-13-16-7-2-1-3-8-16/h1-12,27H,13-14H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pierre Fabre Urologie

Curated by ChEMBL


Assay Description
Inhibition of VEGF165-NRP1 interaction by ELISA


Bioorg Med Chem Lett 16: 3998-4001 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.014
BindingDB Entry DOI: 10.7270/Q20Z72WD
More data for this
Ligand-Target Pair
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