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Compile Data Set for Download or QSAR

Found 384 hits with Last Name = 'sit' and Initial = 'sy'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86463
PNG
((+)-6-fluorodinapsoline hydrobromide | CAS_0 | NSC...)
Show SMILES Oc1ccc2[C@@H]3CNCc4ccc(F)c(Cc2c1O)c34
Show InChI InChI=1S/C16H14FNO2/c17-13-3-1-8-6-18-7-12-9-2-4-14(19)16(20)10(9)5-11(13)15(8)12/h1-4,12,18-20H,5-7H2/t12-/m0/s1
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50117182
PNG
(2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinoline-...)
Show SMILES Oc1ccc2C3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2
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10.7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50117181
PNG
((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...)
Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1
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11.1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86454
PNG
(6-ethyldinapsoline hydrobromide)
Show SMILES CCc1ccc2CNC[C@H]3c4ccc(O)c(O)c4Cc1c23
Show InChI InChI=1S/C18H19NO2/c1-2-10-3-4-11-8-19-9-15-12-5-6-16(20)18(21)14(12)7-13(10)17(11)15/h3-6,15,19-21H,2,7-9H2,1H3/t15-/m0/s1
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14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86178
PNG
((+/-)-2-propyldinapsoline hydrobromide | Dinapsoli...)
Show SMILES CCCN1C[C@H]2c3ccc(O)c(O)c3Cc3cccc(C1)c23
Show InChI InChI=1S/C19H21NO2/c1-2-8-20-10-13-5-3-4-12-9-15-14(16(11-20)18(12)13)6-7-17(21)19(15)22/h3-7,16,21-22H,2,8-11H2,1H3/t16-/m0/s1
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86456
PNG
(4-hydroxydinapsoline hydrobromide)
Show SMILES Oc1ccc2[C@@H]3CNCc4c(O)ccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO3/c18-13-3-1-8-5-10-9(2-4-14(19)16(10)20)11-6-17-7-12(13)15(8)11/h1-4,11,17-20H,5-7H2/t11-/m0/s1
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86455
PNG
((+/-)-11-chlorodinapsoline hydrobromide | CAS_0 | ...)
Show SMILES Oc1cc(Cl)c2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H14ClNO2/c17-12-5-13(19)16(20)10-4-8-2-1-3-9-6-18-7-11(14(8)9)15(10)12/h1-3,5,11,18-20H,4,6-7H2/t11-/m1/s1
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86454
PNG
(6-ethyldinapsoline hydrobromide)
Show SMILES CCc1ccc2CNC[C@H]3c4ccc(O)c(O)c4Cc1c23
Show InChI InChI=1S/C18H19NO2/c1-2-10-3-4-11-8-19-9-15-12-5-6-16(20)18(21)14(12)7-13(10)17(11)15/h3-6,15,19-21H,2,7-9H2,1H3/t15-/m0/s1
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27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86459
PNG
(4-fluorodinapsoline hydrobromide | CAS_0 | NSC_0)
Show SMILES Oc1ccc2[C@@H]3CNCc4c(F)ccc(Cc2c1O)c34
Show InChI InChI=1S/C16H14FNO2/c17-13-3-1-8-5-10-9(2-4-14(19)16(10)20)11-6-18-7-12(13)15(8)11/h1-4,11,18-20H,5-7H2/t11-/m0/s1
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50309707
PNG
(4-fluorobenzaldehyde O-4-butoxyphenylcarbamoyl oxi...)
Show SMILES CCCCOc1ccc(NC(=O)O\N=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O3/c1-2-3-12-23-17-10-8-16(9-11-17)21-18(22)24-20-13-14-4-6-15(19)7-5-14/h4-11,13H,2-3,12H2,1H3,(H,21,22)/b20-13+
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30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Competitive inhibition of human FAAH expressed in human H4 cells


Bioorg Med Chem Lett 20: 1272-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.080
BindingDB Entry DOI: 10.7270/Q2H41RKR
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50117181
PNG
((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...)
Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1
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33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86461
PNG
(1,2,3,11b-Tetrahydro[1]benzothiopyrano[4,3,2-de]is...)
Show SMILES Oc1ccc2C3CNCc4cccc(Sc2c1O)c34
Show InChI InChI=1S/C15H13NO2S/c17-11-5-4-9-10-7-16-6-8-2-1-3-12(13(8)10)19-15(9)14(11)18/h1-5,10,16-18H,6-7H2
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34.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50117181
PNG
((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...)
Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1
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38n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86462
PNG
((+/-)-3-methyldinapsoline hydrobromide)
Show SMILES CC1NC[C@H]2c3ccc(O)c(O)c3Cc3cccc1c23
Show InChI InChI=1S/C17H17NO2/c1-9-11-4-2-3-10-7-13-12(5-6-15(19)17(13)20)14(8-18-9)16(10)11/h2-6,9,14,18-20H,7-8H2,1H3/t9?,14-/m0/s1
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40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50117182
PNG
(2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinoline-...)
Show SMILES Oc1ccc2C3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2
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56n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50117182
PNG
(2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinoline-...)
Show SMILES Oc1ccc2C3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2
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67n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86459
PNG
(4-fluorodinapsoline hydrobromide | CAS_0 | NSC_0)
Show SMILES Oc1ccc2[C@@H]3CNCc4c(F)ccc(Cc2c1O)c34
Show InChI InChI=1S/C16H14FNO2/c17-13-3-1-8-5-10-9(2-4-14(19)16(10)20)11-6-18-7-12(13)15(8)11/h1-4,11,18-20H,5-7H2/t11-/m0/s1
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69n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86466
PNG
((+/-)-2-methyldinapsoline hydrobromide | CAS_0 | N...)
Show SMILES CN1C[C@H]2c3ccc(O)c(O)c3Cc3cccc(C1)c23
Show InChI InChI=1S/C17H17NO2/c1-18-8-11-4-2-3-10-7-13-12(14(9-18)16(10)11)5-6-15(19)17(13)20/h2-6,14,19-20H,7-9H2,1H3/t14-/m0/s1
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70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86456
PNG
(4-hydroxydinapsoline hydrobromide)
Show SMILES Oc1ccc2[C@@H]3CNCc4c(O)ccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO3/c18-13-3-1-8-5-10-9(2-4-14(19)16(10)20)11-6-17-7-12(13)15(8)11/h1-4,11,17-20H,5-7H2/t11-/m0/s1
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72n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86470
PNG
((+/-)-3-perfluorobutyldinapsoline hydrobromide | C...)
Show SMILES Oc1ccc2[C@@H]3CNC(c4cccc(Cc2c1O)c34)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C20H14F9NO2/c21-17(22,18(23,24)19(25,26)20(27,28)29)16-10-3-1-2-8-6-11-9(4-5-13(31)15(11)32)12(7-30-16)14(8)10/h1-5,12,16,30-32H,6-7H2/t12-,16?/m0/s1
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78n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86458
PNG
((+/-)-3-n-butyldinapsoline hydrobromide)
Show SMILES CCCCC1NC[C@H]2c3ccc(O)c(O)c3Cc3cccc1c23
Show InChI InChI=1S/C20H23NO2/c1-2-3-7-17-14-6-4-5-12-10-15-13(8-9-18(22)20(15)23)16(11-21-17)19(12)14/h4-6,8-9,16-17,21-23H,2-3,7,10-11H2,1H3/t16-,17?/m0/s1
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93n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86465
PNG
((+/-)-7-methyldinapsoline hydrobromide)
Show SMILES CC1c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23
Show InChI InChI=1S/C17H17NO2/c1-9-11-4-2-3-10-7-18-8-13(16(10)11)12-5-6-14(19)17(20)15(9)12/h2-6,9,13,18-20H,7-8H2,1H3/t9?,13-/m0/s1
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139n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86465
PNG
((+/-)-7-methyldinapsoline hydrobromide)
Show SMILES CC1c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23
Show InChI InChI=1S/C17H17NO2/c1-9-11-4-2-3-10-7-18-8-13(16(10)11)12-5-6-14(19)17(20)15(9)12/h2-6,9,13,18-20H,7-8H2,1H3/t9?,13-/m0/s1
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160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86468
PNG
(4-fluoro-2,3,7,11b-tetrahydro-1H-pyrido[3,4,5-k]ac...)
Show SMILES Oc1ccc2c3cncc4c(F)ccc([nH]c2c1O)c34
Show InChI InChI=1S/C15H9FN2O2/c16-10-2-3-11-13-8(5-17-6-9(10)13)7-1-4-12(19)15(20)14(7)18-11/h1-6,18-20H
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160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86464
PNG
((-)-6-fluorodinapsoline hydrobromide | CAS_0 | NSC...)
Show SMILES Oc1ccc2C3CNCc4ccc(F)c(Cc2c1O)c34
Show InChI InChI=1S/C16H14FNO2/c17-13-3-1-8-6-18-7-12-9-2-4-14(19)16(20)10(9)5-11(13)15(8)12/h1-4,12,18-20H,5-7H2
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170n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86458
PNG
((+/-)-3-n-butyldinapsoline hydrobromide)
Show SMILES CCCCC1NC[C@H]2c3ccc(O)c(O)c3Cc3cccc1c23
Show InChI InChI=1S/C20H23NO2/c1-2-3-7-17-14-6-4-5-12-10-15-13(8-9-18(22)20(15)23)16(11-21-17)19(12)14/h4-6,8-9,16-17,21-23H,2-3,7,10-11H2,1H3/t16-,17?/m0/s1
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299n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86470
PNG
((+/-)-3-perfluorobutyldinapsoline hydrobromide | C...)
Show SMILES Oc1ccc2[C@@H]3CNC(c4cccc(Cc2c1O)c34)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C20H14F9NO2/c21-17(22,18(23,24)19(25,26)20(27,28)29)16-10-3-1-2-8-6-11-9(4-5-13(31)15(11)32)12(7-30-16)14(8)10/h1-5,12,16,30-32H,6-7H2/t12-,16?/m0/s1
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340n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86466
PNG
((+/-)-2-methyldinapsoline hydrobromide | CAS_0 | N...)
Show SMILES CN1C[C@H]2c3ccc(O)c(O)c3Cc3cccc(C1)c23
Show InChI InChI=1S/C17H17NO2/c1-18-8-11-4-2-3-10-7-13-12(14(9-18)16(10)11)5-6-15(19)17(13)20/h2-6,14,19-20H,7-9H2,1H3/t14-/m0/s1
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382n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86457
PNG
((+/-)-7,7'-dimethyldinapsoline hydrobromide | ...)
Show SMILES CC1(C)c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23
Show InChI InChI=1S/C18H19NO2/c1-18(2)13-5-3-4-10-8-19-9-12(15(10)13)11-6-7-14(20)17(21)16(11)18/h3-7,12,19-21H,8-9H2,1-2H3/t12-/m0/s1
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390n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86460
PNG
((+/-)-7-ethyldinapsoline hydrobromide)
Show SMILES CCC1c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23
Show InChI InChI=1S/C18H19NO2/c1-2-11-12-5-3-4-10-8-19-9-14(16(10)12)13-6-7-15(20)18(21)17(11)13/h3-7,11,14,19-21H,2,8-9H2,1H3/t11?,14-/m0/s1
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430n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86460
PNG
((+/-)-7-ethyldinapsoline hydrobromide)
Show SMILES CCC1c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23
Show InChI InChI=1S/C18H19NO2/c1-2-11-12-5-3-4-10-8-19-9-14(16(10)12)13-6-7-15(20)18(21)17(11)13/h3-7,11,14,19-21H,2,8-9H2,1H3/t11?,14-/m0/s1
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440n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86461
PNG
(1,2,3,11b-Tetrahydro[1]benzothiopyrano[4,3,2-de]is...)
Show SMILES Oc1ccc2C3CNCc4cccc(Sc2c1O)c34
Show InChI InChI=1S/C15H13NO2S/c17-11-5-4-9-10-7-16-6-8-2-1-3-12(13(8)10)19-15(9)14(11)18/h1-5,10,16-18H,6-7H2
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536n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86457
PNG
((+/-)-7,7'-dimethyldinapsoline hydrobromide | ...)
Show SMILES CC1(C)c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23
Show InChI InChI=1S/C18H19NO2/c1-18(2)13-5-3-4-10-8-19-9-12(15(10)13)11-6-7-14(20)17(21)16(11)18/h3-7,12,19-21H,8-9H2,1-2H3/t12-/m0/s1
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870n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86471
PNG
((+/-)-7-methoxycarbonylmethyldinapsoline)
Show SMILES COC(=O)CC1c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23
Show InChI InChI=1S/C19H19NO4/c1-24-16(22)7-13-11-4-2-3-10-8-20-9-14(17(10)11)12-5-6-15(21)19(23)18(12)13/h2-6,13-14,20-21,23H,7-9H2,1H3/t13?,14-/m0/s1
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990n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86469
PNG
((+/-)-11-nitrodinapsoline hydrobromide | CAS_0 | N...)
Show SMILES Oc1cc(c2[C@@H]3CNCc4cccc(Cc2c1O)c34)N(=O)=O
Show InChI InChI=1S/C16H14N2O4/c19-13-5-12(18(21)22)15-10(16(13)20)4-8-2-1-3-9-6-17-7-11(15)14(8)9/h1-3,5,11,17,19-20H,4,6-7H2/t11-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86455
PNG
((+/-)-11-chlorodinapsoline hydrobromide | CAS_0 | ...)
Show SMILES Oc1cc(Cl)c2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H14ClNO2/c17-12-5-13(19)16(20)10-4-8-2-1-3-9-6-18-7-11(14(8)9)15(10)12/h1-3,5,11,18-20H,4,6-7H2/t11-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50117183
PNG
(2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinoline-...)
Show SMILES Oc1ccc2[C@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86462
PNG
((+/-)-3-methyldinapsoline hydrobromide)
Show SMILES CC1NC[C@H]2c3ccc(O)c(O)c3Cc3cccc1c23
Show InChI InChI=1S/C17H17NO2/c1-9-11-4-2-3-10-7-13-12(5-6-15(19)17(13)20)14(8-18-9)16(10)11/h2-6,9,14,18-20H,7-8H2,1H3/t9?,14-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86178
PNG
((+/-)-2-propyldinapsoline hydrobromide | Dinapsoli...)
Show SMILES CCCN1C[C@H]2c3ccc(O)c(O)c3Cc3cccc(C1)c23
Show InChI InChI=1S/C19H21NO2/c1-2-8-20-10-13-5-3-4-12-9-15-14(16(11-20)18(12)13)6-7-17(21)19(15)22/h3-7,16,21-22H,2,8-11H2,1H3/t16-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86471
PNG
((+/-)-7-methoxycarbonylmethyldinapsoline)
Show SMILES COC(=O)CC1c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23
Show InChI InChI=1S/C19H19NO4/c1-24-16(22)7-13-11-4-2-3-10-8-20-9-14(17(10)11)12-5-6-15(21)19(23)18(12)13/h2-6,13-14,20-21,23H,7-9H2,1H3/t13?,14-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86464
PNG
((-)-6-fluorodinapsoline hydrobromide | CAS_0 | NSC...)
Show SMILES Oc1ccc2C3CNCc4ccc(F)c(Cc2c1O)c34
Show InChI InChI=1S/C16H14FNO2/c17-13-3-1-8-6-18-7-12-9-2-4-14(19)16(20)10(9)5-11(13)15(8)12/h1-4,12,18-20H,5-7H2
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3.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50117183
PNG
(2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinoline-...)
Show SMILES Oc1ccc2[C@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m1/s1
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5.30E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86467
PNG
((+/-)-2,3-Dimethyldinapsoline hydrobromide | CAS_0...)
Show SMILES CC1N(C)C[C@H]2c3ccc(O)c(O)c3Cc3cccc1c23
Show InChI InChI=1S/C18H19NO2/c1-10-12-5-3-4-11-8-14-13(6-7-16(20)18(14)21)15(17(11)12)9-19(10)2/h3-7,10,15,20-21H,8-9H2,1-2H3/t10?,15-/m0/s1
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9.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86467
PNG
((+/-)-2,3-Dimethyldinapsoline hydrobromide | CAS_0...)
Show SMILES CC1N(C)C[C@H]2c3ccc(O)c(O)c3Cc3cccc1c23
Show InChI InChI=1S/C18H19NO2/c1-10-12-5-3-4-11-8-14-13(6-7-16(20)18(14)21)15(17(11)12)9-19(10)2/h3-7,10,15,20-21H,8-9H2,1-2H3/t10?,15-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86469
PNG
((+/-)-11-nitrodinapsoline hydrobromide | CAS_0 | N...)
Show SMILES Oc1cc(c2[C@@H]3CNCc4cccc(Cc2c1O)c34)N(=O)=O
Show InChI InChI=1S/C16H14N2O4/c19-13-5-12(18(21)22)15-10(16(13)20)4-8-2-1-3-9-6-17-7-11(15)14(8)9/h1-3,5,11,17,19-20H,4,6-7H2/t11-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86468
PNG
(4-fluoro-2,3,7,11b-tetrahydro-1H-pyrido[3,4,5-k]ac...)
Show SMILES Oc1ccc2c3cncc4c(F)ccc([nH]c2c1O)c34
Show InChI InChI=1S/C15H9FN2O2/c16-10-2-3-11-13-8(5-17-6-9(10)13)7-1-4-12(19)15(20)14(7)18-11/h1-6,18-20H
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50309725
PNG
(CHEMBL598764 | nicotinaldehyde O-4-(undecyloxy)phe...)
Show SMILES CCCCCCCCCCCOc1ccc(NC(=O)O\N=C\c2cccnc2)cc1
Show InChI InChI=1S/C24H33N3O3/c1-2-3-4-5-6-7-8-9-10-18-29-23-15-13-22(14-16-23)27-24(28)30-26-20-21-12-11-17-25-19-21/h11-17,19-20H,2-10,18H2,1H3,(H,27,28)/b26-20+
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n/an/a 0.150n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in human H4 cells


Bioorg Med Chem Lett 20: 1272-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.080
BindingDB Entry DOI: 10.7270/Q2H41RKR
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50309712
PNG
(4-fluorobenzaldehyde O-4-(nonyloxy)phenylcarbamoyl...)
Show SMILES CCCCCCCCCOc1ccc(NC(=O)O\N=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H29FN2O3/c1-2-3-4-5-6-7-8-17-28-22-15-13-21(14-16-22)26-23(27)29-25-18-19-9-11-20(24)12-10-19/h9-16,18H,2-8,17H2,1H3,(H,26,27)/b25-18+
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in human H4 cells


Bioorg Med Chem Lett 20: 1272-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.080
BindingDB Entry DOI: 10.7270/Q2H41RKR
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50309701
PNG
(CHEMBL597430 | benzaldehyde O-4-(nonyloxy)phenylca...)
Show SMILES CCCCCCCCCOc1ccc(NC(=O)O\N=C\c2ccccc2)cc1
Show InChI InChI=1S/C23H30N2O3/c1-2-3-4-5-6-7-11-18-27-22-16-14-21(15-17-22)25-23(26)28-24-19-20-12-9-8-10-13-20/h8-10,12-17,19H,2-7,11,18H2,1H3,(H,25,26)/b24-19+
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n/an/a 0.25n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in human H4 cells


Bioorg Med Chem Lett 20: 1272-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.080
BindingDB Entry DOI: 10.7270/Q2H41RKR
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50309713
PNG
(4-fluorobenzaldehyde O-4-(decyloxy)phenylcarbamoyl...)
Show SMILES CCCCCCCCCCOc1ccc(NC(=O)O\N=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H31FN2O3/c1-2-3-4-5-6-7-8-9-18-29-23-16-14-22(15-17-23)27-24(28)30-26-19-20-10-12-21(25)13-11-20/h10-17,19H,2-9,18H2,1H3,(H,27,28)/b26-19+
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n/an/a 0.25n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in human H4 cells


Bioorg Med Chem Lett 20: 1272-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.080
BindingDB Entry DOI: 10.7270/Q2H41RKR
More data for this
Ligand-Target Pair
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