Found 1908 hits with Last Name = 'miller' and Initial = 'n' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370133
(US10233188, Example 22 | US10800783, Example 22 | ...)Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C19H27N5O3S/c1-13-11-14-12-20-19(21-15-7-9-23(10-8-15)28(2,26)27)22-17(14)24(18(13)25)16-5-3-4-6-16/h11-12,15-16H,3-10H2,1-2H3,(H,20,21,22) | MMDB
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| PC cid
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UniChem
| | 0.0470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM467013
((-)-6-(2,2-difluoroethyl)-8-[(1R*,2R*)-2-hydroxy-2...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC(F)F)c1=O |r| Show InChI InChI=1S/C21H29F2N5O4S/c1-21(30)7-3-4-16(21)28-18-14(10-13(19(28)29)11-17(22)23)12-24-20(26-18)25-15-5-8-27(9-6-15)33(2,31)32/h10,12,15-17,30H,3-9,11H2,1-2H3,(H,24,25,26)/t16-,21-/m1/s1 | MMDB
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| PC cid
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UniChem
| | 0.0640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370147
(US10233188, Example 36 | US10800783, Example 36 | ...)Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r| Show InChI InChI=1S/C19H27N5O3S/c1-13-4-3-5-16(13)24-17(25)7-6-14-12-20-19(22-18(14)24)21-15-8-10-23(11-9-15)28(2,26)27/h6-7,12-13,15-16H,3-5,8-11H2,1-2H3,(H,20,21,22)/t13-,16+/m0/s1 | MMDB
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| PC cid
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UniChem
| | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50609170
(CHEMBL5266837)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(COC3CC3)c(=O)n(C3CCCC3)c2n1 | MMDB
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| PC cid
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| | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370121
(6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcy...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O |r| Show InChI InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1 | MMDB
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UniChem
| | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM467013
((-)-6-(2,2-difluoroethyl)-8-[(1R*,2R*)-2-hydroxy-2...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC(F)F)c1=O |r| Show InChI InChI=1S/C21H29F2N5O4S/c1-21(30)7-3-4-16(21)28-18-14(10-13(19(28)29)11-17(22)23)12-24-20(26-18)25-15-5-8-27(9-6-15)33(2,31)32/h10,12,15-17,30H,3-9,11H2,1-2H3,(H,24,25,26)/t16-,21-/m1/s1 | MMDB
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| PC cid
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| | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21301
(7-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)Show SMILES COc1cccc2c(cn(CC3CCOCC3)c12)C(=O)C1C(C)(C)C1(C)C Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)17-14-24(13-15-9-11-27-12-10-15)19-16(17)7-6-8-18(19)26-5/h6-8,14-15,21H,9-13H2,1-5H3 | PDB
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| PC cid
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| Article
PubMed
| 0.120 | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 51: 1904-12 (2008)
Article DOI: 10.1021/jm7011613
BindingDB Entry DOI: 10.7270/Q2C827K2 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370205
(US10233188, Example 92 | US10800783, Example 92 | ...)Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r| Show InChI InChI=1S/C20H29N5O4S/c1-13-11-14-12-21-19(22-15-6-9-24(10-7-15)30(3,28)29)23-17(14)25(18(13)26)16-5-4-8-20(16,2)27/h11-12,15-16,27H,4-10H2,1-3H3,(H,21,22,23)/t16-,20-/m1/s1 | MMDB
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| PC cid
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UniChem
| | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370121
(6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcy...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O |r| Show InChI InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1 | MMDB
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UniChem
| | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21291
(6-methyl-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...)Show SMILES Cc1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C Show InChI InChI=1S/C23H31NO2/c1-15-6-7-17-18(20(25)21-22(2,3)23(21,4)5)14-24(19(17)12-15)13-16-8-10-26-11-9-16/h6-7,12,14,16,21H,8-11,13H2,1-5H3 | PDB
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| PC cid
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| Article
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| 0.150 | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 51: 1904-12 (2008)
Article DOI: 10.1021/jm7011613
BindingDB Entry DOI: 10.7270/Q2C827K2 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50027094
(CHEMBL2112374)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(CNC(N)=N)cc12)ccc3O |THB:10:9:17:4.5.6| Show InChI InChI=1S/C28H31N5O3/c29-26(30)31-12-15-3-5-19-17(9-15)18-11-28(35)21-10-16-4-6-20(34)24-22(16)27(28,25(36-24)23(18)32-19)7-8-33(21)13-14-1-2-14/h3-6,9,14,21,25,32,34-35H,1-2,7-8,10-13H2,(H4,29,30,31)/t21-,25+,27+,28-/m1/s1 | PDB
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| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand |
J Med Chem 46: 5505-11 (2003)
Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370256
(BDBM467151 | US10233188, Example 143)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CO)c(=O)n(C3CCCC3)c2n1 | MMDB
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| UniChem
| | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM467013
((-)-6-(2,2-difluoroethyl)-8-[(1R*,2R*)-2-hydroxy-2...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC(F)F)c1=O |r| Show InChI InChI=1S/C21H29F2N5O4S/c1-21(30)7-3-4-16(21)28-18-14(10-13(19(28)29)11-17(22)23)12-24-20(26-18)25-15-5-8-27(9-6-15)33(2,31)32/h10,12,15-17,30H,3-9,11H2,1-2H3,(H,24,25,26)/t16-,21-/m1/s1 | MMDB
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| | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370257
(BDBM467152 | US10233188, Example 144)Show SMILES COCCc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O | MMDB
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| UniChem
| | 0.196 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50609166
(CHEMBL5280928)Show SMILES CC(=O)c1c(C)c2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O | MMDB
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| | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21864
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1 | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol
Curated by ChEMBL
| Assay Description
Binding affinity towards recombinant human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta) |
J Med Chem 45: 537-40 (2002)
BindingDB Entry DOI: 10.7270/Q2668DXN |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370120
(6-chloro-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Cl)c1=O |r| Show InChI InChI=1S/C19H26ClN5O4S/c1-19(27)7-3-4-15(19)25-16-12(10-14(20)17(25)26)11-21-18(23-16)22-13-5-8-24(9-6-13)30(2,28)29/h10-11,13,15,27H,3-9H2,1-2H3,(H,21,22,23)/t15-,19-/m1/s1 | MMDB
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| | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370113
(8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(m...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r| Show InChI InChI=1S/C19H27N5O4S/c1-19(26)9-3-4-15(19)24-16(25)6-5-13-12-20-18(22-17(13)24)21-14-7-10-23(11-8-14)29(2,27)28/h5-6,12,14-15,26H,3-4,7-11H2,1-2H3,(H,20,21,22)/t15-,19-/m1/s1 | MMDB
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| | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21864
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1 | PDB
Reactome pathway
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells |
J Med Chem 47: 6645-8 (2004)
Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM82551
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1 | PDB
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PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand |
J Med Chem 46: 5505-11 (2003)
Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50609166
(CHEMBL5280928)Show SMILES CC(=O)c1c(C)c2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O | MMDB
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| | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | MMDB
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| | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50609171
(CHEMBL5288078)Show SMILES CCOCc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O | MMDB
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Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21284
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccccc23)C1(C)C Show InChI InChI=1S/C22H29NO2/c1-21(2)20(22(21,3)4)19(24)17-14-23(13-15-9-11-25-12-10-15)18-8-6-5-7-16(17)18/h5-8,14-15,20H,9-13H2,1-4H3 | PDB
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| 0.210 | n/a | n/a | n/a | 9.5 | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 51: 1904-12 (2008)
Article DOI: 10.1021/jm7011613
BindingDB Entry DOI: 10.7270/Q2C827K2 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370205
(US10233188, Example 92 | US10800783, Example 92 | ...)Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r| Show InChI InChI=1S/C20H29N5O4S/c1-13-11-14-12-21-19(22-15-6-9-24(10-7-15)30(3,28)29)23-17(14)25(18(13)26)16-5-4-8-20(16,2)27/h11-12,15-16,27H,4-10H2,1-3H3,(H,21,22,23)/t16-,20-/m1/s1 | MMDB
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Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM498545
((1R,3S)-3-[3-({[2- (methylsulfonyl)phenyl]acetyl}...)Show SMILES CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccccc2S(C)(=O)=O)n[nH]1 |r| | PDB
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370140
(US10233188, Example 29 | US10800783, Example 29 | ...)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22) | MMDB
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370248
((8-cyclopentyl-2-{[1-(methylsulfonyl)piperidin-4-y...)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CC#N)c(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C20H26N6O3S/c1-30(28,29)25-10-7-16(8-11-25)23-20-22-13-15-12-14(6-9-21)19(27)26(18(15)24-20)17-4-2-3-5-17/h12-13,16-17H,2-8,10-11H2,1H3,(H,22,23,24) | MMDB
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370133
(US10233188, Example 22 | US10800783, Example 22 | ...)Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C19H27N5O3S/c1-13-11-14-12-20-19(21-15-7-9-23(10-8-15)28(2,26)27)22-17(14)24(18(13)25)16-5-3-4-6-16/h11-12,15-16H,3-10H2,1-2H3,(H,20,21,22) | MMDB
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370130
(US10233188, Example 19 | US10800783, Example 19 | ...)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C3CCCCCC3)c2n1 Show InChI InChI=1S/C20H29N5O3S/c1-29(27,28)24-12-10-16(11-13-24)22-20-21-14-15-8-9-18(26)25(19(15)23-20)17-6-4-2-3-5-7-17/h8-9,14,16-17H,2-7,10-13H2,1H3,(H,21,22,23) | MMDB
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370140
(US10233188, Example 29 | US10800783, Example 29 | ...)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22) | MMDB
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370120
(6-chloro-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Cl)c1=O |r| Show InChI InChI=1S/C19H26ClN5O4S/c1-19(27)7-3-4-15(19)25-16-12(10-14(20)17(25)26)11-21-18(23-16)22-13-5-8-24(9-6-13)30(2,28)29/h10-11,13,15,27H,3-9H2,1-2H3,(H,21,22,23)/t15-,19-/m1/s1 | MMDB
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Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM82551
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of [3H]diprenorphine binding to human opioid receptor kappa 1 expressed in CHO cells |
J Med Chem 48: 1676-9 (2005)
Article DOI: 10.1021/jm049172n
BindingDB Entry DOI: 10.7270/Q2DB84N0 |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM85093
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21) | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement. |
J Med Chem 47: 2348-55 (2004)
Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21334
(1-(oxan-4-ylmethyl)-6-phenyl-3-[(2,2,3,3-tetrameth...)Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)-c2ccccc2)C1(C)C Show InChI InChI=1S/C28H33NO2/c1-27(2)26(28(27,3)4)25(30)23-18-29(17-19-12-14-31-15-13-19)24-16-21(10-11-22(23)24)20-8-6-5-7-9-20/h5-11,16,18-19,26H,12-15,17H2,1-4H3 | PDB
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| 0.410 | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 51: 1904-12 (2008)
Article DOI: 10.1021/jm7011613
BindingDB Entry DOI: 10.7270/Q2C827K2 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370120
(6-chloro-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]...)Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Cl)c1=O |r| Show InChI InChI=1S/C19H26ClN5O4S/c1-19(27)7-3-4-15(19)25-16-12(10-14(20)17(25)26)11-21-18(23-16)22-13-5-8-24(9-6-13)30(2,28)29/h10-11,13,15,27H,3-9H2,1-2H3,(H,21,22,23)/t15-,19-/m1/s1 | MMDB
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370258
(BDBM467153 | US10233188, Example 145)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n(C3CCCC3)c2n1 | MMDB
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| | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370248
((8-cyclopentyl-2-{[1-(methylsulfonyl)piperidin-4-y...)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CC#N)c(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C20H26N6O3S/c1-30(28,29)25-10-7-16(8-11-25)23-20-22-13-15-12-14(6-9-21)19(27)26(18(15)24-20)17-4-2-3-5-17/h12-13,16-17H,2-8,10-11H2,1H3,(H,22,23,24) | MMDB
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Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50027093
(CHEMBL2112373)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(CCNC(N)=N)cc12)ccc3O |THB:10:9:17:4.5.6| Show InChI InChI=1S/C29H33N5O3/c30-27(31)32-9-7-15-3-5-20-18(11-15)19-13-29(36)22-12-17-4-6-21(35)25-23(17)28(29,26(37-25)24(19)33-20)8-10-34(22)14-16-1-2-16/h3-6,11,16,22,26,33,35-36H,1-2,7-10,12-14H2,(H4,30,31,32)/t22-,26+,28+,29-/m1/s1 | PDB
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| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand |
J Med Chem 46: 5505-11 (2003)
Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21300
(6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)Show SMILES COc1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)18-14-24(13-15-8-10-27-11-9-15)19-12-16(26-5)6-7-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3 | PDB
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| 0.510 | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 51: 1904-12 (2008)
Article DOI: 10.1021/jm7011613
BindingDB Entry DOI: 10.7270/Q2C827K2 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370277
(BDBM467172 | US10233188, Example 164)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C3CCCCC3)c2n1 | MMDB
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| | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM611576
(US11718603, Example 1 | US20230321042, Compound C)Show SMILES CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccnc(OC)c2)n[nH]1 |r| | PDB
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370130
(US10233188, Example 19 | US10800783, Example 19 | ...)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C3CCCCCC3)c2n1 Show InChI InChI=1S/C20H29N5O3S/c1-29(27,28)24-12-10-16(11-13-24)22-20-21-14-15-8-9-18(26)25(19(15)23-20)17-6-4-2-3-5-7-17/h8-9,14,16-17H,2-7,10-13H2,1H3,(H,21,22,23) | MMDB
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370133
(US10233188, Example 22 | US10800783, Example 22 | ...)Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C19H27N5O3S/c1-13-11-14-12-20-19(21-15-7-9-23(10-8-15)28(2,26)27)22-17(14)24(18(13)25)16-5-3-4-6-16/h11-12,15-16H,3-10H2,1-2H3,(H,20,21,22) | MMDB
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| | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50136119
(7-[4-aminobenzylamino(imino)methylamino]-22-cyclop...)Show SMILES NC(NCc1ccc(N)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30| Show InChI InChI=1S/C34H36N6O3/c35-21-6-3-18(4-7-21)16-37-32(36)38-22-8-9-25-23(14-22)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)39-25)11-12-40(27)17-19-1-2-19/h3-10,14,19,27,31,39,41-42H,1-2,11-13,15-17,35H2,(H3,36,37,38)/t27?,31-,33-,34+/m0/s1 | PDB
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| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand |
J Med Chem 46: 5505-11 (2003)
Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21290
(6-bromo-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethy...)Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Br)ccc23)C1(C)C Show InChI InChI=1S/C22H28BrNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-11-15(23)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.650 | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 51: 1904-12 (2008)
Article DOI: 10.1021/jm7011613
BindingDB Entry DOI: 10.7270/Q2C827K2 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50136114
(7-[4-chlorobenzylamino(imino)methylamino]-22-cyclo...)Show SMILES NC(NCc1ccc(Cl)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30| Show InChI InChI=1S/C34H34ClN5O3/c35-21-6-3-18(4-7-21)16-37-32(36)38-22-8-9-25-23(14-22)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)39-25)11-12-40(27)17-19-1-2-19/h3-10,14,19,27,31,39,41-42H,1-2,11-13,15-17H2,(H3,36,37,38)/t27?,31-,33-,34+/m0/s1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand |
J Med Chem 46: 5505-11 (2003)
Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM370112
(8-cyclopentyl-2-{[1-(methylsulfonyl)piperidin-4-yl...)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C18H25N5O3S/c1-27(25,26)22-10-8-14(9-11-22)20-18-19-12-13-6-7-16(24)23(17(13)21-18)15-4-2-3-5-15/h6-7,12,14-15H,2-5,8-11H2,1H3,(H,19,20,21) | MMDB
KEGG
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| PC cid
PC sid
UniChem
| | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21307
(6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)Show SMILES COc1cc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2cc1O Show InChI InChI=1S/C23H31NO4/c1-22(2)21(23(22,3)4)20(26)16-13-24(12-14-6-8-28-9-7-14)17-11-19(27-5)18(25)10-15(16)17/h10-11,13-14,21,25H,6-9,12H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 51: 1904-12 (2008)
Article DOI: 10.1021/jm7011613
BindingDB Entry DOI: 10.7270/Q2C827K2 |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50153255
(2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-m-tolyl-...)Show InChI InChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)21-20(24)15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24) | PDB
Reactome pathway
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4 allele |
Bioorg Med Chem Lett 14: 5095-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q |
More data for this
Ligand-Target Pair | |
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