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Compile Data Set for Download or QSAR

Found 427 hits with Last Name = 'celestini' and Initial = 'p'   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411716
PNG
(CHEMBL429132)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(C)(C)C)n1C
Show InChI InChI=1S/C31H36N6OS/c1-20-10-11-23-24(8-6-9-25(23)32-20)28-34-35-30(36(28)5)39-17-7-14-37-15-12-21-18-26-27(19-22(21)13-16-37)38-29(33-26)31(2,3)4/h6,8-11,18-19H,7,12-17H2,1-5H3
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411713
PNG
(CHEMBL255620)
Show SMILES CN(C)c1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Show InChI InChI=1S/C29H33N7OS/c1-19-9-10-22-23(7-5-8-24(22)30-19)27-32-33-29(35(27)4)38-16-6-13-36-14-11-20-17-25-26(18-21(20)12-15-36)37-28(31-25)34(2)3/h5,7-10,17-18H,6,11-16H2,1-4H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411678
PNG
(CHEMBL273199)
Show SMILES Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5cccc6cnc(C)cc56)n4C)CCc3c2)n(C)n1
Show InChI InChI=1S/C31H35N7S/c1-21-17-28-26(20-32-21)7-5-8-27(28)30-33-34-31(36(30)3)39-16-6-13-38-14-11-23-9-10-25(19-24(23)12-15-38)29-18-22(2)35-37(29)4/h5,7-10,17-20H,6,11-16H2,1-4H3
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411672
PNG
(CHEMBL256477)
Show SMILES CCc1nn(C)c2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
Show InChI InChI=1S/C30H35N7S/c1-5-26-25-18-21-12-15-37(16-13-22(21)19-28(25)36(4)34-26)14-7-17-38-30-33-32-29(35(30)3)24-8-6-9-27-23(24)11-10-20(2)31-27/h6,8-11,18-19H,5,7,12-17H2,1-4H3
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411669
PNG
(CHEMBL271631)
Show SMILES CCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2s1
Show InChI InChI=1S/C29H32N6S2/c1-4-27-31-25-17-20-11-14-35(15-12-21(20)18-26(25)37-27)13-6-16-36-29-33-32-28(34(29)3)23-7-5-8-24-22(23)10-9-19(2)30-24/h5,7-10,17-18H,4,6,11-16H2,1-3H3
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411712
PNG
(CHEMBL271083)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(F)(F)C(F)(F)F)n1C
Show InChI InChI=1S/C23H23F5N6O2S/c1-13-18(35-12-29-13)19-31-32-21(33(19)2)37-9-3-6-34-7-4-14-10-16-17(11-15(14)5-8-34)36-20(30-16)22(24,25)23(26,27)28/h10-12H,3-9H2,1-2H3
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3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411702
PNG
(CHEMBL256015)
Show SMILES CC(C)c1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Show InChI InChI=1S/C30H34N6OS/c1-19(2)29-32-26-17-21-11-14-36(15-12-22(21)18-27(26)37-29)13-6-16-38-30-34-33-28(35(30)4)24-7-5-8-25-23(24)10-9-20(3)31-25/h5,7-10,17-19H,6,11-16H2,1-4H3
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3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50370572
PNG
(CHEMBL85606 | SB-277011)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |r,wU:3.2,wD:6.6,(-5.17,2.38,;-5.16,.84,;-3.83,.08,;-2.49,.85,;-2.5,2.39,;-1.16,3.16,;.18,2.39,;1.51,3.16,;2.84,2.39,;4.18,3.16,;4.17,4.69,;5.51,5.46,;6.84,4.68,;8.18,5.44,;9.51,4.67,;9.5,3.12,;8.16,2.36,;6.83,3.14,;5.51,2.38,;10.85,5.43,;12.18,6.19,;.17,.85,;-1.15,.08,;-6.49,.07,;-7.83,.83,;-9.16,.06,;-9.16,-1.48,;-7.83,-2.25,;-7.83,-3.79,;-6.49,-4.56,;-5.15,-3.79,;-5.16,-2.25,;-6.49,-1.48,)|
Show InChI InChI=1S/C28H30N4O/c29-18-21-5-8-23-19-32(16-13-22(23)17-21)15-12-20-6-9-24(10-7-20)31-28(33)26-11-14-30-27-4-2-1-3-25(26)27/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15-16,19H2,(H,31,33)/t20-,24-
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411668
PNG
(CHEMBL255567)
Show SMILES CCc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2s1
Show InChI InChI=1S/C23H28N6OS2/c1-4-20-25-18-12-16-6-9-29(10-7-17(16)13-19(18)32-20)8-5-11-31-23-27-26-22(28(23)3)21-15(2)24-14-30-21/h12-14H,4-11H2,1-3H3
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411692
PNG
(CHEMBL401728)
Show SMILES Cc1cc(-c2nc3cc4CCN(CCCSc5nnc(-c6ocnc6C)n5C)CCc4cc3o2)n(C)n1
Show InChI InChI=1S/C26H30N8O2S/c1-16-12-21(33(4)31-16)25-28-20-13-18-6-9-34(10-7-19(18)14-22(20)36-25)8-5-11-37-26-30-29-24(32(26)3)23-17(2)27-15-35-23/h12-15H,5-11H2,1-4H3
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411703
PNG
(CHEMBL402826)
Show SMILES CCCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Show InChI InChI=1S/C30H34N6OS/c1-4-7-28-32-26-18-21-12-15-36(16-13-22(21)19-27(26)37-28)14-6-17-38-30-34-33-29(35(30)3)24-8-5-9-25-23(24)11-10-20(2)31-25/h5,8-11,18-19H,4,6-7,12-17H2,1-3H3
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411705
PNG
(CHEMBL270227)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(F)(F)C(F)(F)F)n1C
Show InChI InChI=1S/C29H27F5N6OS/c1-17-7-8-20-21(5-3-6-22(20)35-17)25-37-38-27(39(25)2)42-14-4-11-40-12-9-18-15-23-24(16-19(18)10-13-40)41-26(36-23)28(30,31)29(32,33)34/h3,5-8,15-16H,4,9-14H2,1-2H3
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5.01n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411706
PNG
(CHEMBL255826)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)N2CCCCC2)n1C
Show InChI InChI=1S/C32H37N7OS/c1-22-10-11-25-26(8-6-9-27(25)33-22)30-35-36-32(37(30)2)41-19-7-14-38-17-12-23-20-28-29(21-24(23)13-18-38)40-31(34-28)39-15-4-3-5-16-39/h6,8-11,20-21H,3-5,7,12-19H2,1-2H3
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5.01n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411696
PNG
(CHEMBL256473)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(C)(F)F)n1C
Show InChI InChI=1S/C29H30F2N6OS/c1-18-8-9-21-22(6-4-7-23(21)32-18)26-34-35-28(36(26)3)39-15-5-12-37-13-10-19-16-24-25(17-20(19)11-14-37)38-27(33-24)29(2,30)31/h4,6-9,16-17H,5,10-15H2,1-3H3
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411660
PNG
(CHEMBL256481)
Show SMILES Cc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
Show InChI InChI=1S/C30H34N6OS/c1-19-10-11-24-25(8-7-9-26(24)31-19)29-33-34-30(35(29)4)38-17-6-5-14-36-15-12-22-18-27-28(37-21(3)32-27)20(2)23(22)13-16-36/h7-11,18H,5-6,12-17H2,1-4H3
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411693
PNG
(CHEMBL270567)
Show SMILES Cc1cc(-c2nc3cc4CCN(CCCSc5nnc(-c6cccc7nc(C)ccc67)n5C)CCc4cc3o2)n(C)n1
Show InChI InChI=1S/C32H34N8OS/c1-20-9-10-24-25(7-5-8-26(24)33-20)30-35-36-32(38(30)3)42-16-6-13-40-14-11-22-18-27-29(19-23(22)12-15-40)41-31(34-27)28-17-21(2)37-39(28)4/h5,7-10,17-19H,6,11-16H2,1-4H3
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411683
PNG
(CHEMBL408169)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4NCCOc4cc3CC2)n1C
Show InChI InChI=1S/C28H32N6OS/c1-19-7-8-22-23(5-3-6-24(22)30-19)27-31-32-28(33(27)2)36-16-4-12-34-13-9-20-17-25-26(35-15-11-29-25)18-21(20)10-14-34/h3,5-8,17-18,29H,4,9-16H2,1-2H3
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411698
PNG
(CHEMBL271096)
Show SMILES CCc1nc2cc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3cc2o1
Show InChI InChI=1S/C26H28F3N5OS/c1-3-23-30-21-15-18-9-12-34(13-10-19(18)16-22(21)35-23)11-4-14-36-25-32-31-24(33(25)2)17-5-7-20(8-6-17)26(27,28)29/h5-8,15-16H,3-4,9-14H2,1-2H3
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411709
PNG
(CHEMBL256016)
Show SMILES CC(C)c1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2o1
Show InChI InChI=1S/C24H30N6O2S/c1-15(2)23-26-19-12-17-6-9-30(10-7-18(17)13-20(19)32-23)8-5-11-33-24-28-27-22(29(24)4)21-16(3)25-14-31-21/h12-15H,5-11H2,1-4H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411684
PNG
(CHEMBL272379)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4OCCN(c4cc3CC2)S(C)(=O)=O)n1C
Show InChI InChI=1S/C29H34N6O3S2/c1-20-8-9-23-24(6-4-7-25(23)30-20)28-31-32-29(33(28)2)39-17-5-12-34-13-10-21-18-26-27(19-22(21)11-14-34)38-16-15-35(26)40(3,36)37/h4,6-9,18-19H,5,10-17H2,1-3H3
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411688
PNG
(CHEMBL401576)
Show SMILES Cc1noc2cc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3cc12
Show InChI InChI=1S/C25H26F3N5OS/c1-16-21-14-18-8-11-33(12-9-19(18)15-22(21)34-31-16)10-3-13-35-24-30-29-23(32(24)2)17-4-6-20(7-5-17)25(26,27)28/h4-7,14-15H,3,8-13H2,1-2H3
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411718
PNG
(CHEMBL272545)
Show SMILES CCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Show InChI InChI=1S/C29H32N6OS/c1-4-27-31-25-17-20-11-14-35(15-12-21(20)18-26(25)36-27)13-6-16-37-29-33-32-28(34(29)3)23-7-5-8-24-22(23)10-9-19(2)30-24/h5,7-10,17-18H,4,6,11-16H2,1-3H3
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411695
PNG
(CHEMBL273166)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(CC5CC5)oc4cc3CC2)n1C
Show InChI InChI=1S/C31H34N6OS/c1-20-7-10-24-25(5-3-6-26(24)32-20)30-34-35-31(36(30)2)39-16-4-13-37-14-11-22-18-27-28(19-23(22)12-15-37)38-29(33-27)17-21-8-9-21/h3,5-7,10,18-19,21H,4,8-9,11-17H2,1-2H3
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411643
PNG
(CHEMBL255566)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4c(Br)c3CC2)C(C)(C)C)n1C
Show InChI InChI=1S/C31H35BrN6OS/c1-19-10-11-22-23(8-6-9-24(22)33-19)28-35-36-30(37(28)5)40-17-7-14-38-15-12-20-18-25-27(26(32)21(20)13-16-38)39-29(34-25)31(2,3)4/h6,8-11,18H,7,12-17H2,1-5H3
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411721
PNG
(CHEMBL256474)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(C)(F)F)n1C
Show InChI InChI=1S/C23H26F2N6O2S/c1-14-19(32-13-26-14)20-28-29-22(30(20)3)34-10-4-7-31-8-5-15-11-17-18(12-16(15)6-9-31)33-21(27-17)23(2,24)25/h11-13H,4-10H2,1-3H3
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411671
PNG
(CHEMBL271632)
Show SMILES Cc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2s1
Show InChI InChI=1S/C28H30N6S2/c1-18-8-9-22-23(6-4-7-24(22)29-18)27-31-32-28(33(27)3)35-15-5-12-34-13-10-20-16-25-26(36-19(2)30-25)17-21(20)11-14-34/h4,6-9,16-17H,5,10-15H2,1-3H3
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411689
PNG
(CHEMBL257946)
Show SMILES Cc1noc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
Show InChI InChI=1S/C28H30N6OS/c1-18-8-9-22-23(6-4-7-25(22)29-18)27-30-31-28(33(27)3)36-15-5-12-34-13-10-20-16-24-19(2)32-35-26(24)17-21(20)11-14-34/h4,6-9,16-17H,5,10-15H2,1-3H3
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411661
PNG
(CHEMBL257369)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCCN2CCc3cc4nc(oc4c(Br)c3CC2)C(F)(F)F)n1C
Show InChI InChI=1S/C29H28BrF3N6OS/c1-17-8-9-20-21(6-5-7-22(20)34-17)26-36-37-28(38(26)2)41-15-4-3-12-39-13-10-18-16-23-25(24(30)19(18)11-14-39)40-27(35-23)29(31,32)33/h5-9,16H,3-4,10-15H2,1-2H3
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411715
PNG
(CHEMBL439065)
Show SMILES Cc1nc2cc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3cc2o1
Show InChI InChI=1S/C25H26F3N5OS/c1-16-29-21-14-18-8-11-33(12-9-19(18)15-22(21)34-16)10-3-13-35-24-31-30-23(32(24)2)17-4-6-20(7-5-17)25(26,27)28/h4-7,14-15H,3,8-13H2,1-2H3
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411675
PNG
(CHEMBL272478)
Show SMILES CC(C)N1Cc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2C1=O
Show InChI InChI=1S/C31H36N6OS/c1-20(2)37-19-24-17-22-11-14-36(15-12-23(22)18-27(24)30(37)38)13-6-16-39-31-34-33-29(35(31)4)26-7-5-8-28-25(26)10-9-21(3)32-28/h5,7-10,17-18,20H,6,11-16,19H2,1-4H3
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411719
PNG
(CHEMBL269994)
Show SMILES CCc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
Show InChI InChI=1S/C31H36N6OS/c1-5-28-33-27-19-22-13-16-37(17-14-23(22)21(3)29(27)38-28)15-6-7-18-39-31-35-34-30(36(31)4)25-9-8-10-26-24(25)12-11-20(2)32-26/h8-12,19H,5-7,13-18H2,1-4H3
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411645
PNG
(CHEMBL255806)
Show SMILES Cc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Br)c2o1
Show InChI InChI=1S/C28H29BrN6OS/c1-17-8-9-21-22(6-4-7-23(21)30-17)27-32-33-28(34(27)3)37-15-5-12-35-13-10-19-16-24-26(36-18(2)31-24)25(29)20(19)11-14-35/h4,6-9,16H,5,10-15H2,1-3H3
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411641
PNG
(CHEMBL256651)
Show SMILES CCc1nc2cc3CCN(CCCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3cc2o1
Show InChI InChI=1S/C25H27F2N5OS/c1-3-23-28-21-14-16-7-10-32(11-8-17(16)15-22(21)33-23)9-4-12-34-25-30-29-24(31(25)2)18-5-6-19(26)20(27)13-18/h5-6,13-15H,3-4,7-12H2,1-2H3
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411686
PNG
(CHEMBL403181)
Show SMILES CCc1noc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
Show InChI InChI=1S/C29H32N6OS/c1-4-25-24-17-20-11-14-35(15-12-21(20)18-27(24)36-33-25)13-6-16-37-29-32-31-28(34(29)3)23-7-5-8-26-22(23)10-9-19(2)30-26/h5,7-10,17-18H,4,6,11-16H2,1-3H3
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411666
PNG
(CHEMBL401752)
Show SMILES CCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
Show InChI InChI=1S/C30H34N6OS/c1-5-27-32-26-18-21-12-15-36(16-13-22(21)20(3)28(26)37-27)14-7-17-38-30-34-33-29(35(30)4)24-8-6-9-25-23(24)11-10-19(2)31-25/h6,8-11,18H,5,7,12-17H2,1-4H3
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31.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411642
PNG
(CHEMBL269995)
Show SMILES Cc1nc2cc3CCN(CCCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3cc2o1
Show InChI InChI=1S/C24H25F2N5OS/c1-15-27-21-13-16-6-9-31(10-7-17(16)14-22(21)32-15)8-3-11-33-24-29-28-23(30(24)2)18-4-5-19(25)20(26)12-18/h4-5,12-14H,3,6-11H2,1-2H3
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31.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411710
PNG
(CHEMBL272546)
Show SMILES CCc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2o1
Show InChI InChI=1S/C23H28N6O2S/c1-4-20-25-18-12-16-6-9-29(10-7-17(16)13-19(18)31-20)8-5-11-32-23-27-26-22(28(23)3)21-15(2)24-14-30-21/h12-14H,4-11H2,1-3H3
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31.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411658
PNG
(CHEMBL256650)
Show SMILES Cc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Show InChI InChI=1S/C27H28N6OS/c1-17-7-8-21-22(5-4-6-23(21)28-17)26-30-31-27(32(26)3)35-14-13-33-11-9-19-15-24-25(34-18(2)29-24)16-20(19)10-12-33/h4-8,15-16H,9-14H2,1-3H3
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31.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411697
PNG
(CHEMBL258090)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(CC(F)(F)F)oc4cc3CC2)n1C
Show InChI InChI=1S/C29H29F3N6OS/c1-18-7-8-21-22(5-3-6-23(21)33-18)27-35-36-28(37(27)2)40-14-4-11-38-12-9-19-15-24-25(16-20(19)10-13-38)39-26(34-24)17-29(30,31)32/h3,5-8,15-16H,4,9-14,17H2,1-2H3
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411694
PNG
(CHEMBL255619)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(CC5CC5)oc4cc3CC2)n1C
Show InChI InChI=1S/C25H30N6O2S/c1-16-23(32-15-26-16)24-28-29-25(30(24)2)34-11-3-8-31-9-6-18-13-20-21(14-19(18)7-10-31)33-22(27-20)12-17-4-5-17/h13-15,17H,3-12H2,1-2H3
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411685
PNG
(CHEMBL256652)
Show SMILES CN1C(=O)COc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
Show InChI InChI=1S/C29H32N6O2S/c1-19-8-9-22-23(6-4-7-24(22)30-19)28-31-32-29(34(28)3)38-15-5-12-35-13-10-20-16-25-26(17-21(20)11-14-35)37-18-27(36)33(25)2/h4,6-9,16-17H,5,10-15,18H2,1-3H3
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411676
PNG
(CHEMBL270852)
Show SMILES CC(C)N1Cc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2C1=O
Show InChI InChI=1S/C32H38N6OS/c1-21(2)38-20-25-18-23-12-15-37(16-13-24(23)19-28(25)31(38)39)14-5-6-17-40-32-35-34-30(36(32)4)27-8-7-9-29-26(27)11-10-22(3)33-29/h7-11,18-19,21H,5-6,12-17,20H2,1-4H3
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411667
PNG
(CHEMBL272694)
Show SMILES Cc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
Show InChI InChI=1S/C29H32N6OS/c1-18-9-10-23-24(7-5-8-25(23)30-18)28-32-33-29(34(28)4)37-16-6-13-35-14-11-21-17-26-27(36-20(3)31-26)19(2)22(21)12-15-35/h5,7-10,17H,6,11-16H2,1-4H3
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411665
PNG
(CHEMBL402087)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4c(C)c3CC2)C(C)(C)C)n1C
Show InChI InChI=1S/C32H38N6OS/c1-20-11-12-24-25(9-7-10-26(24)33-20)29-35-36-31(37(29)6)40-18-8-15-38-16-13-22-19-27-28(21(2)23(22)14-17-38)39-30(34-27)32(3,4)5/h7,9-12,19H,8,13-18H2,1-6H3
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411663
PNG
(CHEMBL271072)
Show SMILES Cc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Br)c2o1
Show InChI InChI=1S/C29H31BrN6OS/c1-18-9-10-22-23(7-6-8-24(22)31-18)28-33-34-29(35(28)3)38-16-5-4-13-36-14-11-20-17-25-27(37-19(2)32-25)26(30)21(20)12-15-36/h6-10,17H,4-5,11-16H2,1-3H3
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411662
PNG
(CHEMBL256482)
Show SMILES CCc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Br)c2o1
Show InChI InChI=1S/C30H33BrN6OS/c1-4-26-33-25-18-20-12-15-37(16-13-21(20)27(31)28(25)38-26)14-5-6-17-39-30-35-34-29(36(30)3)23-8-7-9-24-22(23)11-10-19(2)32-24/h7-11,18H,4-6,12-17H2,1-3H3
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411648
PNG
(CHEMBL273165)
Show SMILES CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3nc(C)oc3c(Br)c2CC1 |w:1.0|
Show InChI InChI=1S/C29H31BrN6OS/c1-17-8-9-22-23(6-5-7-24(22)31-17)28-33-34-29(35(28)4)38-15-12-18(2)36-13-10-20-16-25-27(37-19(3)32-25)26(30)21(20)11-14-36/h5-9,16,18H,10-15H2,1-4H3
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50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411707
PNG
(CHEMBL402016)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(F)(F)F)n1C
Show InChI InChI=1S/C28H27F3N6OS/c1-17-7-8-20-21(5-3-6-22(20)32-17)25-34-35-27(36(25)2)39-14-4-11-37-12-9-18-15-23-24(16-19(18)10-13-37)38-26(33-23)28(29,30)31/h3,5-8,15-16H,4,9-14H2,1-2H3
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50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411717
PNG
(CHEMBL272695)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C2CC2)n1C
Show InChI InChI=1S/C30H32N6OS/c1-19-7-10-23-24(5-3-6-25(23)31-19)28-33-34-30(35(28)2)38-16-4-13-36-14-11-21-17-26-27(18-22(21)12-15-36)37-29(32-26)20-8-9-20/h3,5-7,10,17-18,20H,4,8-9,11-16H2,1-2H3
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50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411690
PNG
(CHEMBL271844)
Show SMILES Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4ncoc4cc3CC2)n1C
Show InChI InChI=1S/C27H28N6OS/c1-18-7-8-21-22(5-3-6-23(21)29-18)26-30-31-27(32(26)2)35-14-4-11-33-12-9-19-15-24-25(34-17-28-24)16-20(19)10-13-33/h3,5-8,15-17H,4,9-14H2,1-2H3
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50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay


Bioorg Med Chem Lett 18: 901-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.066
BindingDB Entry DOI: 10.7270/Q2MK6F32
More data for this
Ligand-Target Pair
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