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Compile Data Set for Download or QSAR

Found 6349 hits with Last Name = 'kumar' and Initial = 'r'   
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))
BDBM50119386
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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0.190n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378001
PNG
(CHEMBL1627321 | US8748608, 36)
Show SMILES OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)9-8-17(30)15-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)
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0.260n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50131922
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2-methoxy-pheny...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-23-11-5-4-10-22(23)28-16-14-27(15-17-28)13-7-6-12-25-24(29)21-18-19-8-2-3-9-20(19)26-21/h2-5,8-11,18,26H,6-7,12-17H2,1H3,(H,25,29)
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0.320n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253620
PNG
(CHEMBL523328 | endo-8-(Benzofur-3-ylmethyl)-3-(3,4...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H21Cl2NO2/c23-19-8-5-15(9-20(19)24)22(26)10-16-6-7-17(11-22)25(16)12-14-13-27-21-4-2-1-3-18(14)21/h1-5,8-9,13,16-17,26H,6-7,10-12H2
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0.340n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253638
PNG
(CHEMBL518816 | endo-8-(5-Fluorobenzofur-3-ylmethyl...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc(F)cc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:20:1:4.5:8|
Show InChI InChI=1S/C22H21ClFNO2/c23-16-3-1-15(2-4-16)22(26)10-18-6-7-19(11-22)25(18)12-14-13-27-21-8-5-17(24)9-20(14)21/h1-5,8-9,13,18-19,26H,6-7,10-12H2
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0.370n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378019
PNG
(CHEMBL1627323)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C23H24Cl2N4O/c24-18-7-5-9-21(22(18)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)20-16-17-6-1-2-8-19(17)27-20/h1-9,16,27H,10-15H2,(H,26,30)/b4-3+
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0.440n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378018
PNG
(CHEMBL1627322 | US8748608, 37)
Show SMILES COc1ccccc1N1CCN(CCC(O)CNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H30N4O3/c1-31-23-9-5-4-8-22(23)28-14-12-27(13-15-28)11-10-19(29)17-25-24(30)21-16-18-6-2-3-7-20(18)26-21/h2-9,16,19,26,29H,10-15,17H2,1H3,(H,25,30)
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0.510n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50129425
PNG
(5-Fluoro-1H-indole-2-carboxylic acid {4-[4-(2,3-di...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2FN4O/c24-18-4-3-5-21(22(18)25)30-12-10-29(11-13-30)9-2-1-8-27-23(31)20-15-16-14-17(26)6-7-19(16)28-20/h3-7,14-15,28H,1-2,8-13H2,(H,27,31)
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0.520n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253664
PNG
(CHEMBL518037 | endo-8-(5-Fluorobenzofur-3-ylmethyl...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc(F)cc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:20:1:4.5:8|
Show InChI InChI=1S/C22H20Cl2FNO2/c23-19-5-1-14(7-20(19)24)22(27)9-16-3-4-17(10-22)26(16)11-13-12-28-21-6-2-15(25)8-18(13)21/h1-2,5-8,12,16-17,27H,3-4,9-11H2
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0.530n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253619
PNG
(CHEMBL493278 | endo-8-(Benzofur-3-ylmethyl)-3-(4-c...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22ClNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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0.710n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50149708
PNG
(5-Iodo-benzofuran-2-carboxylic acid {4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1
Show InChI InChI=1S/C24H28IN3O3/c1-30-22-7-3-2-6-20(22)28-14-12-27(13-15-28)11-5-4-10-26-24(29)23-17-18-16-19(25)8-9-21(18)31-23/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H,26,29)
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0.720n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119390
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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0.810n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119384
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2,3-dichloro-p...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O2/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
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0.810n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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0.920n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253636
PNG
(CHEMBL461835 | endo-8-(Benzofur-3-ylmethyl)-3-(4-b...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Br)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22BrNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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0.920n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253619
PNG
(CHEMBL493278 | endo-8-(Benzofur-3-ylmethyl)-3-(4-c...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22ClNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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1.06n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161242
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Show InChI InChI=1S/C23H23Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-9,16H,10-15H2,(H,26,29)/b4-3+
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1.11n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50342720
PNG
((R)-N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-3-...)
Show SMILES O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m1/s1
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1.12n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253635
PNG
(CHEMBL517588 | endo-8-(Benzofur-3-ylmethyl)-3-(4-f...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(F)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22FNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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1.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378008
PNG
(CHEMBL1627314)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NCCC(O)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H28Cl2N4O3/c1-33-18-5-6-20-16(13-18)14-21(28-20)24(32)27-8-7-17(31)15-29-9-11-30(12-10-29)22-4-2-3-19(25)23(22)26/h2-6,13-14,17,28,31H,7-12,15H2,1H3,(H,27,32)
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1.20n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253638
PNG
(CHEMBL518816 | endo-8-(5-Fluorobenzofur-3-ylmethyl...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc(F)cc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:20:1:4.5:8|
Show InChI InChI=1S/C22H21ClFNO2/c23-16-3-1-15(2-4-16)22(26)10-18-6-7-19(11-22)25(18)12-14-13-27-21-8-5-17(24)9-20(14)21/h1-5,8-9,13,18-19,26H,6-7,10-12H2
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1.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50256480
PNG
(CHEMBL466397 | N-(2,6-difluorophenyl)-5-(3-(2-(5-e...)
Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to insulin receptor by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50342720
PNG
((R)-N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-3-...)
Show SMILES O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m1/s1
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1.39n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378014
PNG
(CHEMBL1627308 | US8748608, 35)
Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H30N4O3/c1-31-23-9-5-4-8-22(23)28-14-12-27(13-15-28)17-19(29)10-11-25-24(30)21-16-18-6-2-3-7-20(18)26-21/h2-9,16,19,26,29H,10-15,17H2,1H3,(H,25,30)
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1.40n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253664
PNG
(CHEMBL518037 | endo-8-(5-Fluorobenzofur-3-ylmethyl...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc(F)cc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:20:1:4.5:8|
Show InChI InChI=1S/C22H20Cl2FNO2/c23-19-5-1-14(7-20(19)24)22(27)9-16-3-4-17(10-22)26(16)11-13-12-28-21-6-2-15(25)8-18(13)21/h1-2,5-8,12,16-17,27H,3-4,9-11H2
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1.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253636
PNG
(CHEMBL461835 | endo-8-(Benzofur-3-ylmethyl)-3-(4-b...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Br)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22BrNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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1.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253637
PNG
(CHEMBL462043 | endo-8-(5-Methoxybenzofur-3-ylmethy...)
Show SMILES COc1ccc2occ(CN3C4CCC3CC(O)(C4)c3ccc(Cl)cc3)c2c1 |TLB:9:10:12.13:18.16.15,19:16:12.13:10,THB:17:16:12.13:10|
Show InChI InChI=1S/C23H24ClNO3/c1-27-20-8-9-22-21(10-20)15(14-28-22)13-25-18-6-7-19(25)12-23(26,11-18)16-2-4-17(24)5-3-16/h2-5,8-10,14,18-19,26H,6-7,11-13H2,1H3
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1.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50149707
PNG
(5-Iodo-benzofuran-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4cc(I)ccc4o3)CC2)c1Cl
Show InChI InChI=1S/C23H24Cl2IN3O2/c24-18-4-3-5-19(22(18)25)29-12-10-28(11-13-29)9-2-1-8-27-23(30)21-15-16-14-17(26)6-7-20(16)31-21/h3-7,14-15H,1-2,8-13H2,(H,27,30)
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1.59n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50256480
PNG
(CHEMBL466397 | N-(2,6-difluorophenyl)-5-(3-(2-(5-e...)
Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to IGF1R by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378012
PNG
(CHEMBL1627310)
Show SMILES OC(CCNC(=O)c1cc2cc(F)ccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2FN4O2/c24-18-2-1-3-21(22(18)25)30-10-8-29(9-11-30)14-17(31)6-7-27-23(32)20-13-15-12-16(26)4-5-19(15)28-20/h1-5,12-13,17,28,31H,6-11,14H2,(H,27,32)
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1.61n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253620
PNG
(CHEMBL523328 | endo-8-(Benzofur-3-ylmethyl)-3-(3,4...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H21Cl2NO2/c23-19-8-5-15(9-20(19)24)22(26)10-16-6-7-17(11-22)25(16)12-14-13-27-21-4-2-1-3-18(14)21/h1-5,8-9,13,16-17,26H,6-7,10-12H2
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1.70n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253663
PNG
(CHEMBL461197 | endo-8-(Naphtho[1,2-b]fur-3-ylmethy...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2c1ccc1ccccc21)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:23:1:4.5:8|
Show InChI InChI=1S/C26H24ClNO2/c27-20-8-6-19(7-9-20)26(29)13-21-10-11-22(14-26)28(21)15-18-16-30-25-23-4-2-1-3-17(23)5-12-24(18)25/h1-9,12,16,21-22,29H,10-11,13-15H2
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2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253637
PNG
(CHEMBL462043 | endo-8-(5-Methoxybenzofur-3-ylmethy...)
Show SMILES COc1ccc2occ(CN3C4CCC3CC(O)(C4)c3ccc(Cl)cc3)c2c1 |TLB:9:10:12.13:18.16.15,19:16:12.13:10,THB:17:16:12.13:10|
Show InChI InChI=1S/C23H24ClNO3/c1-27-20-8-9-22-21(10-20)15(14-28-22)13-25-18-6-7-19(25)12-23(26,11-18)16-2-4-17(24)5-3-16/h2-5,8-10,14,18-19,26H,6-7,11-13H2,1H3
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2.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50161229
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2,3-dichloro-p...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C23H23Cl2N3O2/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-9,16H,10-15H2,(H,26,29)/b4-3+
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2.11n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50256478
PNG
(CHEMBL507714 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C41H41F2N9O4S/c1-56-35-26-30(49-19-15-29(16-20-49)50-21-23-51(24-22-50)57(2,54)55)12-13-33(35)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
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2.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to insulin receptor by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378007
PNG
(CHEMBL1627315)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NCCC(O)CN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H32N4O4/c1-32-20-7-8-21-18(15-20)16-22(27-21)25(31)26-10-9-19(30)17-28-11-13-29(14-12-28)23-5-3-4-6-24(23)33-2/h3-8,15-16,19,27,30H,9-14,17H2,1-2H3,(H,26,31)
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2.32n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378011
PNG
(CHEMBL1627311)
Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(F)ccc3[nH]2)CC1
Show InChI InChI=1S/C24H29FN4O3/c1-32-23-5-3-2-4-22(23)29-12-10-28(11-13-29)16-19(30)8-9-26-24(31)21-15-17-14-18(25)6-7-20(17)27-21/h2-7,14-15,19,27,30H,8-13,16H2,1H3,(H,26,31)
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2.41n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378016
PNG
(CHEMBL1627304)
Show SMILES COc1ccccc1N1CCN(C\C=C\CNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H27N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-11,18H,12-17H2,1H3,(H,25,28)/b7-6+
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2.61n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209858
PNG
(CHEMBL3884577)
Show SMILES Cc1ccc(cc1)-c1cn2nc(sc2n1)-c1ccc(cc1)S(N)(=O)=O
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3.30n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378009
PNG
(CHEMBL1627313)
Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(I)ccc3[nH]2)CC1
Show InChI InChI=1S/C24H29IN4O3/c1-32-23-5-3-2-4-22(23)29-12-10-28(11-13-29)16-19(30)8-9-26-24(31)21-15-17-14-18(25)6-7-20(17)27-21/h2-7,14-15,19,27,30H,8-13,16H2,1H3,(H,26,31)
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3.60n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50253616
PNG
(CHEMBL493276 | endo-8-(Benzothien-3-ylmethyl)-3-(4...)
Show SMILES OC1(CC2CCC(C1)N2Cc1csc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22ClNOS/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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3.62n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209889
PNG
(CHEMBL3884342)
Show SMILES COc1ccc(cc1)-c1cn2nc(sc2n1)-c1ccc(cc1)S(N)(=O)=O
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3.80n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50210047
PNG
(CHEMBL3885288)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccccc1
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4.10n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346873
PNG
(CHEMBL1797652)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C94H173N37O28/c1-46(2)42-63(84(151)116-50(6)91(158)159)126-81(148)61(30-32-66(99)136)122-76(143)55(23-11-15-35-96)120-79(146)59(27-19-38-109-93(103)104)124-86(153)65-29-21-41-131(65)90(157)49(5)115-75(142)54(22-10-14-34-95)117-69(139)44-111-68(138)43-112-87(154)70(51(7)133)128-85(152)64(45-132)127-80(147)56(24-12-16-36-97)121-78(145)58(26-18-37-108-92(101)102)119-74(141)48(4)114-88(155)71(52(8)134)129-83(150)62(31-33-67(100)137)123-77(144)57(25-13-17-40-113-107)125-89(156)72(53(9)135)130-82(149)60(118-73(140)47(3)98)28-20-39-110-94(105)106/h46-65,70-72,113,132-135H,10-45,95-98,107H2,1-9H3,(H2,99,136)(H2,100,137)(H,111,138)(H,112,154)(H,114,155)(H,115,142)(H,116,151)(H,117,139)(H,118,140)(H,119,141)(H,120,146)(H,121,145)(H,122,143)(H,123,144)(H,124,153)(H,125,156)(H,126,148)(H,127,147)(H,128,152)(H,129,150)(H,130,149)(H,158,159)(H4,101,102,108)(H4,103,104,109)(H4,105,106,110)/t47-,48-,49-,50-,51+,52+,53+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,70-,71-,72-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of recombinant LSD1 (178 to 831) (unknown origin) expressed in baculovirus infected insect Sf9 cells using diMeK4H3-21 as substrate by per...


ACS Med Chem Lett 5: 29-33 (2014)


Article DOI: 10.1021/ml4002997
BindingDB Entry DOI: 10.7270/Q2HT2QS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378002
PNG
(CHEMBL1627320 | US8748608, 39)
Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-21-8-4-3-7-20(21)27-14-12-26(13-15-27)17-19(28)10-11-25-24(29)23-16-18-6-2-5-9-22(18)31-23/h2-9,16,19,28H,10-15,17H2,1H3,(H,25,29)
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4.60n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253635
PNG
(CHEMBL517588 | endo-8-(Benzofur-3-ylmethyl)-3-(4-f...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(F)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
Show InChI InChI=1S/C22H22FNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2
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4.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50446141
PNG
(CHEMBL3108901)
Show SMILES CC(N[C@H]1C[C@@H]1c1ccccc1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C19H21NO2/c1-13(15-7-8-18-19(11-15)22-10-9-21-18)20-17-12-16(17)14-5-3-2-4-6-14/h2-8,11,13,16-17,20H,9-10,12H2,1H3/t13?,16-,17+/m1/s1
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5n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 using di-methylated H3-K4 peptide as substrate assessed as release of H2O2 preincubated for 15 mins followed by ...


ACS Med Chem Lett 5: 29-33 (2014)


Article DOI: 10.1021/ml4002997
BindingDB Entry DOI: 10.7270/Q2HT2QS9
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50256478
PNG
(CHEMBL507714 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C41H41F2N9O4S/c1-56-35-26-30(49-19-15-29(16-20-49)50-21-23-51(24-22-50)57(2,54)55)12-13-33(35)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
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5.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to IGF1R by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378010
PNG
(CHEMBL1627312)
Show SMILES OC(CCNC(=O)c1cc2cc(I)ccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2IN4O2/c24-18-2-1-3-21(22(18)25)30-10-8-29(9-11-30)14-17(31)6-7-27-23(32)20-13-15-12-16(26)4-5-19(15)28-20/h1-5,12-13,17,28,31H,6-11,14H2,(H,27,32)
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5.21n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253663
PNG
(CHEMBL461197 | endo-8-(Naphtho[1,2-b]fur-3-ylmethy...)
Show SMILES OC1(CC2CCC(C1)N2Cc1coc2c1ccc1ccccc21)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:23:1:4.5:8|
Show InChI InChI=1S/C26H24ClNO2/c27-20-8-6-19(7-9-20)26(29)13-21-10-11-22(14-26)28(21)15-18-16-30-25-23-4-2-1-3-17(23)5-12-24(18)25/h1-9,12,16,21-22,29H,10-11,13-15H2
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5.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
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