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Compile Data Set for Download or QSAR

Found 167 hits with Last Name = 'sauer' and Initial = 'dr'   
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
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50409919
PNG
(CHEMBL12282)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC2CC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(F)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C47H69ClFN3O13/c1-12-35-47(9)39(51(43(56)65-47)18-17-30-15-16-33(49)32(48)20-30)27(5)36(53)24(2)21-46(8,59-11)40(64-42-37(54)34(19-26(4)61-42)50(10)22-31-13-14-31)28(6)38(29(7)41(55)62-35)63-45(58)52-25(3)23-60-44(52)57/h15-16,20,24-29,31,34-35,37-40,42,54H,12-14,17-19,21-23H2,1-11H3/t24-,25+,26-,27+,28+,29-,34+,35-,37-,38+,39-,40-,42?,46+,47-/m1/s1
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0.331n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181170
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES Cc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)c1
Show InChI InChI=1S/C23H32F3N5O/c1-17-7-10-31(20(32)15-17)9-6-5-8-29-11-13-30(14-12-29)19-16-18(23(24,25)26)27-21(28-19)22(2,3)4/h7,10,15-16H,5-6,8-9,11-14H2,1-4H3
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0.800n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50224090
PNG
(CHEMBL410940)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(CC3CC3)CC3CC3)[C@@H](C)[C@H](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(F)c(Cl)c1
KEGG

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0.851n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181161
PNG
(3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CCN(CC)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C22H37F3N6O/c1-6-30(7-2)20(32)26-10-8-9-11-29-12-14-31(15-13-29)18-16-17(22(23,24)25)27-19(28-18)21(3,4)5/h16H,6-15H2,1-5H3,(H,26,32)
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0.900n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181164
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(O)cc2=O)CC1
Show InChI InChI=1S/C22H30F3N5O2/c1-21(2,3)20-26-17(22(23,24)25)15-18(27-20)29-12-10-28(11-13-29)7-4-5-8-30-9-6-16(31)14-19(30)32/h6,9,14-15,31H,4-5,7-8,10-13H2,1-3H3
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1.10n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50224093
PNG
(CHEMBL408925)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(CC3CC3)CC3CC3)[C@@H](C)[C@H](OC(=O)N3[C@@H](C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)c(Cl)c1
KEGG

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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50177350
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C27H33F3N6O/c1-26(2,3)24-32-22(27(28,29)30)19-23(33-24)35-17-15-34(16-18-35)12-7-8-13-36-14-11-21(31-25(36)37)20-9-5-4-6-10-20/h4-6,9-11,14,19H,7-8,12-13,15-18H2,1-3H3
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1.40n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50224095
PNG
(CHEMBL264043)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C3CCCC3)[C@@H](C)[C@H](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)c(Cl)c1
KEGG

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1.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181169
PNG
(CHEMBL207871 | N-(4-(4-(2-tert-butyl-6-(trifluorom...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C26H36F3N5O/c1-25(2,3)24-31-21(26(27,28)29)19-22(32-24)34-17-15-33(16-18-34)14-8-7-13-30-23(35)12-11-20-9-5-4-6-10-20/h4-6,9-10,19H,7-8,11-18H2,1-3H3,(H,30,35)
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1.60n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50177349
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(=O)[nH]c2=O)CC1
Show InChI InChI=1S/C21H29F3N6O2/c1-20(2,3)18-25-15(21(22,23)24)14-16(26-18)29-12-10-28(11-13-29)7-4-5-8-30-9-6-17(31)27-19(30)32/h6,9,14H,4-5,7-8,10-13H2,1-3H3,(H,27,31,32)
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1.90n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50423641
PNG
(A-198401 | CHEMBL303274)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC2CC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C47H69Cl2N3O13/c1-12-35-47(9)39(51(43(56)65-47)18-17-30-15-16-32(48)33(49)20-30)27(5)36(53)24(2)21-46(8,59-11)40(64-42-37(54)34(19-26(4)61-42)50(10)22-31-13-14-31)28(6)38(29(7)41(55)62-35)63-45(58)52-25(3)23-60-44(52)57/h15-16,20,24-29,31,34-35,37-40,42,54H,12-14,17-19,21-23H2,1-11H3/t24-,25+,26-,27+,28+,29-,34+,35-,37-,38+,39-,40-,42+,46+,47-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181165
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES COc1cccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c1=O
Show InChI InChI=1S/C23H32F3N5O2/c1-22(2,3)21-27-18(23(24,25)26)16-19(28-21)30-14-12-29(13-15-30)9-5-6-10-31-11-7-8-17(33-4)20(31)32/h7-8,11,16H,5-6,9-10,12-15H2,1-4H3
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2.20n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181172
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES Cc1cccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c1=O
Show InChI InChI=1S/C23H32F3N5O/c1-17-8-7-11-31(20(17)32)10-6-5-9-29-12-14-30(15-13-29)19-16-18(23(24,25)26)27-21(28-19)22(2,3)4/h7-8,11,16H,5-6,9-10,12-15H2,1-4H3
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2.30n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181156
PNG
(1-benzyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)NCc2ccccc2)CC1
Show InChI InChI=1S/C25H35F3N6O/c1-24(2,3)22-31-20(25(26,27)28)17-21(32-22)34-15-13-33(14-16-34)12-8-7-11-29-23(35)30-18-19-9-5-4-6-10-19/h4-6,9-10,17H,7-8,11-16,18H2,1-3H3,(H2,29,30,35)
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2.70n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181162
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)Nc2ccccc2)CC1
Show InChI InChI=1S/C24H33F3N6O/c1-23(2,3)21-30-19(24(25,26)27)17-20(31-21)33-15-13-32(14-16-33)12-8-7-11-28-22(34)29-18-9-5-4-6-10-18/h4-6,9-10,17H,7-8,11-16H2,1-3H3,(H2,28,29,34)
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3.20n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50001560
PNG
(CHEMBL273275)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C3CCCC3)[C@@H](C)[C@H](OC(=O)N3[C@@H](C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C48H72ClN3O13/c1-12-36-48(9)40(51(44(56)65-48)22-21-32-17-19-33(49)20-18-32)29(5)37(53)26(2)24-47(8,59-11)41(64-43-38(54)35(23-28(4)61-43)50(10)34-15-13-14-16-34)30(6)39(31(7)42(55)62-36)63-46(58)52-27(3)25-60-45(52)57/h17-20,26-31,34-36,38-41,43,54H,12-16,21-25H2,1-11H3/t26-,27+,28-,29+,30+,31-,35+,36-,38-,39+,40-,41-,43?,47+,48-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181171
PNG
(1-tert-butyl-3-(4-(4-(2-tert-butyl-6-(trifluoromet...)
Show SMILES CC(C)(C)NC(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C22H37F3N6O/c1-20(2,3)18-27-16(22(23,24)25)15-17(28-18)31-13-11-30(12-14-31)10-8-7-9-26-19(32)29-21(4,5)6/h15H,7-14H2,1-6H3,(H2,26,29,32)
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4n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50177345
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES Cc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1
Show InChI InChI=1S/C22H31F3N6O/c1-16-7-10-31(20(32)26-16)9-6-5-8-29-11-13-30(14-12-29)18-15-17(22(23,24)25)27-19(28-18)21(2,3)4/h7,10,15H,5-6,8-9,11-14H2,1-4H3
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4.40n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157087
PNG
(6-(2-Phenyl-cyclopropyl)-8-(pyrimidin-2-ylamino)-n...)
Show SMILES NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C1CC1c1ccccc1
Show InChI InChI=1S/C24H21N5/c25-23(26)17-8-7-16-11-18(20-14-19(20)15-5-2-1-3-6-15)13-22(21(16)12-17)29-24-27-9-4-10-28-24/h1-13,19-20H,14H2,(H3,25,26)(H,27,28,29)
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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against urokinase plasminogen activator


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181163
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)CNC(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C23H39F3N6O/c1-21(2,3)16-28-20(33)27-9-7-8-10-31-11-13-32(14-12-31)18-15-17(23(24,25)26)29-19(30-18)22(4,5)6/h15H,7-14,16H2,1-6H3,(H2,27,28,33)
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5.5n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181167
PNG
(CHEMBL424690 | N-benzyl-6-(4-(2-tert-butyl-6-(trif...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
Show InChI InChI=1S/C26H36F3N5O/c1-25(2,3)24-31-21(26(27,28)29)18-22(32-24)34-16-14-33(15-17-34)13-9-5-8-12-23(35)30-19-20-10-6-4-7-11-20/h4,6-7,10-11,18H,5,8-9,12-17,19H2,1-3H3,(H,30,35)
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6.20n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181159
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)NCC2CCCCC2)CC1
Show InChI InChI=1S/C25H41F3N6O/c1-24(2,3)22-31-20(25(26,27)28)17-21(32-22)34-15-13-33(14-16-34)12-8-7-11-29-23(35)30-18-19-9-5-4-6-10-19/h17,19H,4-16,18H2,1-3H3,(H2,29,30,35)
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6.70n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181173
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)NCCc2ccccc2)CC1
Show InChI InChI=1S/C26H37F3N6O/c1-25(2,3)23-32-21(26(27,28)29)19-22(33-23)35-17-15-34(16-18-35)14-8-7-12-30-24(36)31-13-11-20-9-5-4-6-10-20/h4-6,9-10,19H,7-8,11-18H2,1-3H3,(H2,30,31,36)
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7.20n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50224097
PNG
(CHEMBL418067)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C3CCCCC3)[C@@H](C)[C@H](OC(=O)N3[C@@H](C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)c(Cl)c1
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7.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50224091
PNG
(CHEMBL442482)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C3CCCC3)[C@@H](C)[C@H](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
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7.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181158
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(cc2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C28H34F3N5O/c1-27(2,3)26-32-23(28(29,30)31)20-24(33-26)35-17-15-34(16-18-35)12-7-8-13-36-14-11-22(19-25(36)37)21-9-5-4-6-10-21/h4-6,9-11,14,19-20H,7-8,12-13,15-18H2,1-3H3
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7.90n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181168
PNG
(1-benzyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)...)
Show SMILES CCN(Cc1ccccc1)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C27H39F3N6O/c1-5-35(20-21-11-7-6-8-12-21)25(37)31-13-9-10-14-34-15-17-36(18-16-34)23-19-22(27(28,29)30)32-24(33-23)26(2,3)4/h6-8,11-12,19H,5,9-10,13-18,20H2,1-4H3,(H,31,37)
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8.30n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181174
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cccc(c2=O)C(F)(F)F)CC1
Show InChI InChI=1S/C23H29F6N5O/c1-21(2,3)20-30-17(23(27,28)29)15-18(31-20)33-13-11-32(12-14-33)8-4-5-9-34-10-6-7-16(19(34)35)22(24,25)26/h6-7,10,15H,4-5,8-9,11-14H2,1-3H3
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9.30n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157094
PNG
(8-(Pyrimidin-2-ylamino)-6-((E)-styryl)-naphthalene...)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(Nc3ncccn3)c2c1
Show InChI InChI=1S/C23H19N5/c24-22(25)19-10-9-18-13-17(8-7-16-5-2-1-3-6-16)14-21(20(18)15-19)28-23-26-11-4-12-27-23/h1-15H,(H3,24,25)(H,26,27,28)/b8-7+
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MMDB

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10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against urokinase plasminogen activator


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181155
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(cc2=O)C(F)(F)F)CC1
Show InChI InChI=1S/C23H29F6N5O/c1-21(2,3)20-30-17(23(27,28)29)15-18(31-20)33-12-10-32(11-13-33)7-4-5-8-34-9-6-16(14-19(34)35)22(24,25)26/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3
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11.4n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181160
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES Cc1cccc(=O)n1CCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C23H32F3N5O/c1-17-8-7-9-20(32)31(17)11-6-5-10-29-12-14-30(15-13-29)19-16-18(23(24,25)26)27-21(28-19)22(2,3)4/h7-9,16H,5-6,10-15H2,1-4H3
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12.1n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50224076
PNG
(CHEMBL288534)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)CC3CC3)[C@@H](C)[C@H](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
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13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181175
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)C(F)(F)F)CC1
Show InChI InChI=1S/C22H28F6N6O/c1-20(2,3)18-29-16(22(26,27)28)14-17(31-18)33-12-10-32(11-13-33)7-4-5-8-34-9-6-15(21(23,24)25)30-19(34)35/h6,9,14H,4-5,7-8,10-13H2,1-3H3
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14.5n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50181161
PNG
(3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CCN(CC)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C22H37F3N6O/c1-6-30(7-2)20(32)26-10-8-9-11-29-12-14-31(15-13-29)18-16-17(22(23,24)25)27-19(28-18)21(3,4)5/h16H,6-15H2,1-5H3,(H,26,32)
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17.3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D2 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50001566
PNG
(CHEMBL275467)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C(C)C)[C@@H](C)[C@H](OC(=O)N3[C@@H](C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C46H70ClN3O13/c1-14-34-46(11)38(49(42(54)63-46)20-19-31-15-17-32(47)18-16-31)28(7)35(51)25(4)22-45(10,57-13)39(62-41-36(52)33(21-27(6)59-41)48(12)24(2)3)29(8)37(30(9)40(53)60-34)61-44(56)50-26(5)23-58-43(50)55/h15-18,24-30,33-34,36-39,41,52H,14,19-23H2,1-13H3/t25-,26+,27-,28+,29+,30-,33+,34-,36-,37+,38-,39-,41?,45+,46-/m1/s1
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50224094
PNG
(CHEMBL418256)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)CC3CC3)[C@@H](C)[C@H](OC(=O)N3[C@@H](C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50001573
PNG
(CHEMBL273387)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C(C)C)[C@@H](C)[C@H](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C49H79ClN2O13/c1-16-36-49(12)41(52(46(57)65-49)22-21-33-17-19-34(50)20-18-33)29(6)38(53)27(4)24-48(11,59-15)43(64-45-39(54)35(23-28(5)60-45)51(13)26(2)3)30(7)40(31(8)44(56)62-36)63-37-25-47(10,58-14)42(55)32(9)61-37/h17-20,26-32,35-37,39-43,45,54-55H,16,21-25H2,1-15H3/t27-,28-,29+,30+,31-,32+,35+,36-,37?,39-,40+,41-,42+,43-,45?,47-,48+,49-/m1/s1
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22n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50181164
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(O)cc2=O)CC1
Show InChI InChI=1S/C22H30F3N5O2/c1-21(2,3)20-26-17(22(23,24)25)15-18(27-20)29-12-10-28(11-13-29)7-4-5-8-30-9-6-16(31)14-19(30)32/h6,9,14-15,31H,4-5,7-8,10-13H2,1-3H3
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25.5n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D2 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50224092
PNG
(CHEMBL216252)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(CC3CC3)C(C)CC)[C@@H](C)[C@H](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
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28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157093
PNG
(6-[2-(1-Cyclohexyl-2-methyl-1,2,3,4-tetrahydro-iso...)
Show SMILES CN1CCc2ccc(cc2C1C1CCCCC1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C30H35N3/c1-33-14-13-19-7-10-24(17-28(19)29(33)20-5-3-2-4-6-20)27-18-26(27)23-11-8-22-16-25(30(31)32)12-9-21(22)15-23/h7-12,15-17,20,26-27,29H,2-6,13-14,18H2,1H3,(H3,31,32)
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28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against urokinase plasminogen activator


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50157098
PNG
(6-[2-((S)-1-Isopropyl-3,4-dihydro-isoquinolin-7-yl...)
Show SMILES CC(C)C1=NCCc2ccc(cc12)[C@H]1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|
Show InChI InChI=1S/C26H27N3/c1-15(2)25-24-13-20(6-3-16(24)9-10-29-25)23-14-22(23)19-7-4-18-12-21(26(27)28)8-5-17(18)11-19/h3-8,11-13,15,22-23H,9-10,14H2,1-2H3,(H3,27,28)/t22?,23-/m1/s1
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30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against trypsin


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50157093
PNG
(6-[2-(1-Cyclohexyl-2-methyl-1,2,3,4-tetrahydro-iso...)
Show SMILES CN1CCc2ccc(cc2C1C1CCCCC1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C30H35N3/c1-33-14-13-19-7-10-24(17-28(19)29(33)20-5-3-2-4-6-20)27-18-26(27)23-11-8-22-16-25(30(31)32)12-9-21(22)15-23/h7-12,15-17,20,26-27,29H,2-6,13-14,18H2,1H3,(H3,31,32)
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31n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against trypsin


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181157
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(Cl)ccc2=O)CC1
Show InChI InChI=1S/C22H29ClF3N5O/c1-21(2,3)20-27-17(22(24,25)26)14-18(28-20)30-12-10-29(11-13-30)8-4-5-9-31-15-16(23)6-7-19(31)32/h6-7,14-15H,4-5,8-13H2,1-3H3
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32.2n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50181166
PNG
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(ccc2=O)C(F)(F)F)CC1
Show InChI InChI=1S/C23H29F6N5O/c1-21(2,3)20-30-17(23(27,28)29)14-18(31-20)33-12-10-32(11-13-33)8-4-5-9-34-15-16(22(24,25)26)6-7-19(34)35/h6-7,14-15H,4-5,8-13H2,1-3H3
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35.7n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to cloned human dopamine D3 receptor


Bioorg Med Chem Lett 16: 1934-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50147096
PNG
(6-Carbamimidoyl-4-(pyrimidin-2-ylamino)-naphthalen...)
Show SMILES NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H18N6O/c23-20(24)15-8-7-14-11-16(21(29)27-17-5-2-1-3-6-17)13-19(18(14)12-15)28-22-25-9-4-10-26-22/h1-13H,(H3,23,24)(H,27,29)(H,25,26,28)
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40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against trypsin


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157094
PNG
(8-(Pyrimidin-2-ylamino)-6-((E)-styryl)-naphthalene...)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(Nc3ncccn3)c2c1
Show InChI InChI=1S/C23H19N5/c24-22(25)19-10-9-18-13-17(8-7-16-5-2-1-3-6-16)14-21(20(18)15-19)28-23-26-11-4-12-27-23/h1-15H,(H3,24,25)(H,26,27,28)/b8-7+
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42n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50147088
PNG
(6-Carbamimidoyl-4-furan-3-yl-naphthalene-2-carboxy...)
Show SMILES NC(=N)c1ccc2cc(cc(-c3ccoc3)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H17N3O2/c23-21(24)15-7-6-14-10-17(22(26)25-18-4-2-1-3-5-18)12-20(19(14)11-15)16-8-9-27-13-16/h1-13H,(H3,23,24)(H,25,26)
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45n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against trypsin


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157090
PNG
(6-(2-(1-isopropyl-2-methyl-1,2,3,4-tetrahydroisoqu...)
Show SMILES CC(C)C1N(C)CCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C27H31N3/c1-16(2)26-25-14-21(7-4-17(25)10-11-30(26)3)24-15-23(24)20-8-5-19-13-22(27(28)29)9-6-18(19)12-20/h4-9,12-14,16,23-24,26H,10-11,15H2,1-3H3,(H3,28,29)
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47n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against urokinase plasminogen activator


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157083
PNG
(6-Phenethyl-8-(pyrimidin-2-ylamino)-naphthalene-2-...)
Show SMILES NC(=N)c1ccc2cc(CCc3ccccc3)cc(Nc3ncccn3)c2c1
Show InChI InChI=1S/C23H21N5/c24-22(25)19-10-9-18-13-17(8-7-16-5-2-1-3-6-16)14-21(20(18)15-19)28-23-26-11-4-12-27-23/h1-6,9-15H,7-8H2,(H3,24,25)(H,26,27,28)
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47n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against urokinase plasminogen activator


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157092
PNG
(6-[2-(1-Cyclohexyl-3,4-dihydro-isoquinolin-7-yl)-c...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccc2CCN=C(C3CCCCC3)c2c1 |t:25|
Show InChI InChI=1S/C29H31N3/c30-29(31)24-11-8-20-14-22(10-7-21(20)15-24)25-17-26(25)23-9-6-18-12-13-32-28(27(18)16-23)19-4-2-1-3-5-19/h6-11,14-16,19,25-26H,1-5,12-13,17H2,(H3,30,31)
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50n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against urokinase plasminogen activator


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
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