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Compile Data Set for Download or QSAR

Found 715 hits with Last Name = 'ahmed' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50298360
PNG
((R)-1-(7-ethyl-1H-furo[2,3-g]indazol-1-yl)propan-2...)
Show SMILES CCc1cc2c(ccc3cnn(C[C@@H](C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m1/s1
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0.890n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50257963
PNG
(2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine |...)
Show SMILES Clc1cccc(COc2cncc(n2)N2CCNCC2)c1
Show InChI InChI=1S/C15H17ClN4O/c16-13-3-1-2-12(8-13)11-21-15-10-18-9-14(19-15)20-6-4-17-5-7-20/h1-3,8-10,17H,4-7,11H2
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1n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50298361
PNG
((R)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m1/s1
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1n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50298362
PNG
((R)-3-methyl-1-(4-(trifluoromethyl)-2,3-dihydroben...)
Show SMILES C[C@@H]1CN(CCN1)c1ccc(c2ccoc12)C(F)(F)F
Show InChI InChI=1S/C14H15F3N2O/c1-9-8-19(6-5-18-9)12-3-2-11(14(15,16)17)10-4-7-20-13(10)12/h2-4,7,9,18H,5-6,8H2,1H3/t9-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50091831
PNG
((R)-8,9-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazin...)
Show SMILES Clc1cc2NC(=O)[C@H]3CNCCN3c2cc1Cl
Show InChI InChI=1S/C11H11Cl2N3O/c12-6-3-8-9(4-7(6)13)16-2-1-14-5-10(16)11(17)15-8/h3-4,10,14H,1-2,5H2,(H,15,17)/t10-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50179073
PNG
((4R,9aR)-6-Cyclopropylmethoxymethyl-4-methyl-1,2,3...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
Show InChI InChI=1S/C16H23N3O/c1-11-7-17-8-15-6-13-4-5-14(18-16(13)19(11)15)10-20-9-12-2-3-12/h4-5,11-12,15,17H,2-3,6-10H2,1H3/t11-,15-/m1/s1
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4n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50298359
PNG
((8aR,12aS)-2-(2,6-difluorophenyl)-6,7,8a,9,10,11,1...)
Show SMILES Fc1cccc(F)c1-c1cc2[C@H]3CNCC[C@H]3N3CCCSc(c1)c23
Show InChI InChI=1S/C20H20F2N2S/c21-15-3-1-4-16(22)19(15)12-9-13-14-11-23-6-5-17(14)24-7-2-8-25-18(10-12)20(13)24/h1,3-4,9-10,14,17,23H,2,5-8,11H2/t14-,17-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50067734
PNG
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1
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12n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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18n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092347
PNG
(CHEMBL3586106)
Show SMILES CCCCCc1cc(O)c2[C@@H]3[C@@H](O)C(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-19-7-6-13-15(20(19)27-12-4-2-3-5-12)9-24-25-18(13)8-14-16(21)10-23-11-17(14)22/h6-7,9-12H,2-5,8H2,1H3
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30n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092347
PNG
(CHEMBL3586106)
Show SMILES CCCCCc1cc(O)c2[C@@H]3[C@@H](O)C(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-19-7-6-13-15(20(19)27-12-4-2-3-5-12)9-24-25-18(13)8-14-16(21)10-23-11-17(14)22/h6-7,9-12H,2-5,8H2,1H3
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31n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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42n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092343
PNG
(CHEMBL3586110)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(COC(C)=O)=C[C@H]3c2c(O)c1C(O)=O
Show InChI InChI=1S/C24H32O6/c1-5-6-7-8-16-12-19-21(22(26)20(16)23(27)28)17-11-15(13-29-14(2)25)9-10-18(17)24(3,4)30-19/h11-12,17-18,26H,5-10,13H2,1-4H3,(H,27,28)/t17-,18-/m1/s1
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47n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM84880
PNG
(THC, 8 beta-OH)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)[C@H](O)C[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h9-11,15-17,22-23H,5-8,12H2,1-4H3/t15-,16-,17-/m1/s1
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65n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50067734
PNG
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1
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78n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM84880
PNG
(THC, 8 beta-OH)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)[C@H](O)C[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h9-11,15-17,22-23H,5-8,12H2,1-4H3/t15-,16-,17-/m1/s1
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88n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092345
PNG
(CHEMBL3586108)
Show SMILES CCCCCc1cc(O)c2[C@@H]3[C@@H](O)C(=C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H25Cl2N3O2/c1-32-25-12-11-19-21(15-30-31-24(19)14-20-22(27)16-29-17-23(20)28)26(25)33-13-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-12,15-17H,3,6-7,10,13-14H2,1H3
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117n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092345
PNG
(CHEMBL3586108)
Show SMILES CCCCCc1cc(O)c2[C@@H]3[C@@H](O)C(=C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H25Cl2N3O2/c1-32-25-12-11-19-21(15-30-31-24(19)14-20-22(27)16-29-17-23(20)28)26(25)33-13-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-12,15-17H,3,6-7,10,13-14H2,1H3
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129n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092344
PNG
(CHEMBL3586109)
Show SMILES CCCCCc1cc(O)c2[C@@H]3[C@@H]4O[C@]4(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C20H19Cl2N3O3/c1-27-19-7-6-13-15(20(19)28-12-4-2-3-5-12)11-25(26)24-18(13)8-14-16(21)9-23-10-17(14)22/h6-7,9-12H,2-5,8H2,1H3
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224n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092344
PNG
(CHEMBL3586109)
Show SMILES CCCCCc1cc(O)c2[C@@H]3[C@@H]4O[C@]4(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C20H19Cl2N3O3/c1-27-19-7-6-13-15(20(19)28-12-4-2-3-5-12)11-25(26)24-18(13)8-14-16(21)9-23-10-17(14)22/h6-7,9-12H,2-5,8H2,1H3
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335n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092346
PNG
(CHEMBL3586107)
Show SMILES CCCCCc1cc(O)c2[C@@H]3[C@H](O)C(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H23Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,7-9,11-13,15-17H,3,6,10,14H2,1H3/b11-7+
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830n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092343
PNG
(CHEMBL3586110)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(COC(C)=O)=C[C@H]3c2c(O)c1C(O)=O
Show InChI InChI=1S/C24H32O6/c1-5-6-7-8-16-12-19-21(22(26)20(16)23(27)28)17-11-15(13-29-14(2)25)9-10-18(17)24(3,4)30-19/h11-12,17-18,26H,5-10,13H2,1-4H3,(H,27,28)/t17-,18-/m1/s1
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912n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092348
PNG
(CHEMBL3586104)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)[C@@H](O)C[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H21Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,8-9,12-13,15-17H,3,6,10,14H2,1H3
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1.91E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092342
PNG
(CHEMBL3586111)
Show SMILES CCCCCc1cc(O)c2[C@@H]3[C@H](O)[C@@](C)(O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H32O4/c1-5-6-7-8-13-11-15(22)18-16(12-13)25-20(2,3)14-9-10-21(4,24)19(23)17(14)18/h11-12,14,17,19,22-24H,5-10H2,1-4H3/t14-,17-,19+,21+/m1/s1
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2.14E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092348
PNG
(CHEMBL3586104)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)[C@@H](O)C[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H21Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,8-9,12-13,15-17H,3,6,10,14H2,1H3
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3.22E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092346
PNG
(CHEMBL3586107)
Show SMILES CCCCCc1cc(O)c2[C@@H]3[C@H](O)C(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H23Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,7-9,11-13,15-17H,3,6,10,14H2,1H3/b11-7+
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3.27E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092342
PNG
(CHEMBL3586111)
Show SMILES CCCCCc1cc(O)c2[C@@H]3[C@H](O)[C@@](C)(O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H32O4/c1-5-6-7-8-13-11-15(22)18-16(12-13)25-20(2,3)14-9-10-21(4,24)19(23)17(14)18/h11-12,14,17,19,22-24H,5-10H2,1-4H3/t14-,17-,19+,21+/m1/s1
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5.67E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50184597
PNG
((3aS,6aS)-5-(4-(2,5-dichlorophenyl)pyrimidin-2-yl)...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccnc(n1)N1C[C@@H]2CCN[C@@H]2C1
Show InChI InChI=1S/C16H16Cl2N4/c17-11-1-2-13(18)12(7-11)14-4-6-20-16(21-14)22-8-10-3-5-19-15(10)9-22/h1-2,4,6-7,10,15,19H,3,5,8-9H2/t10-,15+/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


Bioorg Med Chem 17: 4559-68 (2009)


Article DOI: 10.1016/j.bmc.2009.05.003
BindingDB Entry DOI: 10.7270/Q20V8CV1
More data for this
Ligand-Target Pair
Histamine N-methyltransferase


(Cavia porcellus)
BDBM50016564
PNG
(CHEMBL3272448)
Show SMILES CN(C)[C@@H]1CC[C@@H](N(Cc2ccccc2)C1)c1ccccc1
Show InChI InChI=1S/C20H26N2/c1-21(2)19-13-14-20(18-11-7-4-8-12-18)22(16-19)15-17-9-5-3-6-10-17/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m1/s1
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3.16E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of histamine N-methyltransferase in guinea pig brain using S-adenosyl-L-methionine-14C as substrate by scintillation spectrophotometer


J Med Chem 19: 117-22 (1976)


Article DOI: 10.1021/jm00223a020
BindingDB Entry DOI: 10.7270/Q29W0H2G
More data for this
Ligand-Target Pair
Histamine N-methyltransferase


(Cavia porcellus)
BDBM50016547
PNG
(CHEMBL3272447)
Show SMILES CN(C)[C@H]1CC[C@@H](N(Cc2ccccc2)C1)c1ccccc1
Show InChI InChI=1S/C20H26N2/c1-21(2)19-13-14-20(18-11-7-4-8-12-18)22(16-19)15-17-9-5-3-6-10-17/h3-12,19-20H,13-16H2,1-2H3/t19-,20+/m0/s1
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2.47E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of histamine N-methyltransferase in guinea pig brain using S-adenosyl-L-methionine-14C as substrate by scintillation spectrophotometer


J Med Chem 19: 117-22 (1976)


Article DOI: 10.1021/jm00223a020
BindingDB Entry DOI: 10.7270/Q29W0H2G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50187995
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H16N6OS/c1-11-3-2-4-14(9-11)24-19(26)23-13-7-5-12(6-8-13)16-15-17(20)21-10-22-18(15)27-25-16/h2-10H,1H3,(H2,20,21,22)(H2,23,24,26)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by cellular assay


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50201303
PNG
(1-(4-(4-amino-7-(pyrimidin-5-yl)thieno[3,2-c]pyrid...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cncnc2)c1
Show InChI InChI=1S/C25H20N6OS/c1-15-3-2-4-19(9-15)31-25(32)30-18-7-5-16(6-8-18)21-13-33-23-20(12-29-24(26)22(21)23)17-10-27-14-28-11-17/h2-14H,1H3,(H2,26,29)(H2,30,31,32)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation in NIH3T3 cells


Bioorg Med Chem Lett 17: 1246-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.015
BindingDB Entry DOI: 10.7270/Q28K78RS
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by cellular assay


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50207507
PNG
(1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-p-tolylure...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)cc1
Show InChI InChI=1S/C21H19N5O/c1-13-5-9-15(10-6-13)23-21(27)24-16-11-7-14(8-12-16)17-3-2-4-18-19(17)20(22)26-25-18/h2-12H,1H3,(H3,22,25,26)(H2,23,24,27)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT1


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSF1R by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50207509
PNG
(1-(4-(3-amino-7-methyl-1H-indazol-4-yl)phenyl)-3-m...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(C)c3[nH]nc(N)c23)c1
Show InChI InChI=1S/C22H21N5O/c1-13-4-3-5-17(12-13)25-22(28)24-16-9-7-15(8-10-16)18-11-6-14(2)20-19(18)21(23)27-26-20/h3-12H,1-2H3,(H3,23,26,27)(H2,24,25,28)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50207484
PNG
(1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-o-tolylure...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc2[nH]nc(N)c12
Show InChI InChI=1S/C21H19N5O/c1-13-5-2-3-7-17(13)24-21(27)23-15-11-9-14(10-12-15)16-6-4-8-18-19(16)20(22)26-25-18/h2-12H,1H3,(H3,22,25,26)(H2,23,24,27)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50207473
PNG
(1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-chlorop...)
Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C20H16ClN5O/c21-13-3-1-4-15(11-13)24-20(27)23-14-9-7-12(8-10-14)16-5-2-6-17-18(16)19(22)26-25-17/h1-11H,(H3,22,25,26)(H2,23,24,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT1 by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50187997
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C19H13F3N6OS/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-6-4-10(5-7-12)15-14-16(23)24-9-25-17(14)30-28-15/h1-9H,(H2,23,24,25)(H2,26,27,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT4


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50207499
PNG
(1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-m-tolylure...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H19N5O/c1-13-4-2-5-16(12-13)24-21(27)23-15-10-8-14(9-11-15)17-6-3-7-18-19(17)20(22)26-25-18/h2-12H,1H3,(H3,22,25,26)(H2,23,24,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM8870
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H14ClN5OS/c20-12-2-1-3-14(8-12)25-19(26)24-13-6-4-11(5-7-13)15-9-27-18-16(15)17(21)22-10-23-18/h1-10H,(H2,21,22,23)(H2,24,25,26)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50201323
PNG
(1-(4-(4-amino-7-(pyridin-3-yl)thieno[3,2-c]pyridin...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cccnc2)c1
Show InChI InChI=1S/C26H21N5OS/c1-16-4-2-6-20(12-16)31-26(32)30-19-9-7-17(8-10-19)22-15-33-24-21(14-29-25(27)23(22)24)18-5-3-11-28-13-18/h2-15H,1H3,(H2,27,29)(H2,30,31,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation in NIH3T3 cells


Bioorg Med Chem Lett 17: 1246-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.015
BindingDB Entry DOI: 10.7270/Q28K78RS
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50201330
PNG
(1-(4-(4-amino-7-(pyridin-4-yl)thieno[3,2-c]pyridin...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccncc2)c1
Show InChI InChI=1S/C26H21N5OS/c1-16-3-2-4-20(13-16)31-26(32)30-19-7-5-17(6-8-19)22-15-33-24-21(14-29-25(27)23(22)24)18-9-11-28-12-10-18/h2-15H,1H3,(H2,27,29)(H2,30,31,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation in NIH3T3 cells


Bioorg Med Chem Lett 17: 1246-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.015
BindingDB Entry DOI: 10.7270/Q28K78RS
More data for this
Ligand-Target Pair
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