Found 146 hits Enz. Inhib. hit(s) with all data for entry = 50018115 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)) | BDBM50193104
(CHEMBL3905910)Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF3NO5/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3/t12-,14+/m1/s1 | MMDB
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| | 0.626 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferens |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM126500
(US11591322, Compound NVP-2 | US8778951, 310)Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)| Show InChI InChI=1S/C27H37ClN6O2/c1-19(16-35-2)32-20-6-8-21(9-7-20)33-26-14-22(23(28)15-30-26)24-4-3-5-25(34-24)31-18-27(17-29)10-12-36-13-11-27/h3-5,14-15,19-21,32H,6-13,16,18H2,1-2H3,(H,30,33)(H,31,34)/t19-,20-,21-/m1/s1 | PDB
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| | n/a | n/a | <0.514 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Effective concentration required for inhibitory activity towards human beta-1 adrenergic receptor |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1 | PDB
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| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand. |
Citation and Details
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More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50193093
(RGB-286638)Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38) | MMDB
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| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ability to displace [3H]glycine from strychnine-insensitive glycine receptor |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM8131
(N-(4-Isopropylphenyl)-4-pyrazolo[1,5-b]pyridazin-3...)Show InChI InChI=1S/C19H18N6/c1-13(2)14-5-7-15(8-6-14)23-19-20-11-9-17(24-19)16-12-22-25-18(16)4-3-10-21-25/h3-13H,1-2H3,(H,20,23,24) | PDB
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| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The compound was evaluated for its relative binding affinity against mutant Y50F scytalone dehydratase; Relative Ki |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM167699
(US9073922, 186 | US9796708, Example 186)Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:21| | PDB
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| | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Blocking activity against Beta-1 adrenergic receptor in spontaneously beating guinea pig atrial preparations |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50553499
(CHEMBL4754493)Show SMILES Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:14.15,wD:17.19,(8.24,3.69,;6.99,4.59,;6.99,6.13,;5.53,6.61,;4.62,5.36,;5.53,4.12,;5.05,2.65,;6.08,1.51,;7.54,1.03,;6.4,,;3.08,5.36,;2.31,6.69,;.77,6.69,;,8.03,;.77,9.36,;,10.7,;.77,12.03,;2.31,12.03,;3.08,13.36,;3.08,10.7,;2.31,9.36,;,5.36,;.77,4.03,;2.31,4.03,;3.08,2.69,)| | PDB
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| | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ability to displace [3H]glycine from strychnine-insensitive glycine receptor |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50193104
(CHEMBL3905910)Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF3NO5/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3/t12-,14+/m1/s1 | PDB
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| | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve. |
Citation and Details
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More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50193093
(RGB-286638)Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38) | MMDB
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| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Blocking activity against Beta-1 adrenergic receptor in spontaneously beating guinea pig atrial preparations |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50404385
(CHEMBL5273069)Show SMILES COCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccc(C)cc2c1 Show InChI InChI=1S/C22H31N5O6S/c1-15-5-6-16-7-8-18(13-17(16)12-15)34(31,32)26-19(4-3-9-25-22(23)24)21(30)27(10-11-33-2)14-20(28)29/h5-8,12-13,19,26H,3-4,9-11,14H2,1-2H3,(H,28,29)(H4,23,24,25) | MMDB
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| | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM354126
(US9796708, Example 1358 | trans-4-{4-[5-fluoro-4-(...)Show SMILES COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)| | PDB
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| | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Blocking activity against Beta-2 adrenergic receptor in guinea pig tracheal strips |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM8131
(N-(4-Isopropylphenyl)-4-pyrazolo[1,5-b]pyridazin-3...)Show InChI InChI=1S/C19H18N6/c1-13(2)14-5-7-15(8-6-14)23-19-20-11-9-17(24-19)16-12-22-25-18(16)4-3-10-21-25/h3-13H,1-2H3,(H,20,23,24) | MMDB
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| | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The compound was evaluated for its relative binding affinity against mutant N131A scytalone dehydratase; Relative Ki |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1 | PDB
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| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human liver cathepsin D at 0.5 uM |
Citation and Details
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More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50193093
(RGB-286638)Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38) | MMDB
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| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Blocking activity against Beta-2 adrenergic receptor in guinea pig tracheal strips |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB
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MMDB
PDB
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve. |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1 | PDB
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| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB
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| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50553480
(CHEMBL4741442)Show SMILES C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1Br |r| | PDB
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| PDB
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as concentration required to incapacitate 50% of the population exposed to t... |
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | MMDB
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| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ability to displace [3H]glycine from strychnine-insensitive glycine receptor |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50193093
(RGB-286638)Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38) | MMDB
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| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ability to displace [3H]glycine from strychnine-insensitive glycine receptor |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553499
(CHEMBL4754493)Show SMILES Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:14.15,wD:17.19,(8.24,3.69,;6.99,4.59,;6.99,6.13,;5.53,6.61,;4.62,5.36,;5.53,4.12,;5.05,2.65,;6.08,1.51,;7.54,1.03,;6.4,,;3.08,5.36,;2.31,6.69,;.77,6.69,;,8.03,;.77,9.36,;,10.7,;.77,12.03,;2.31,12.03,;3.08,13.36,;3.08,10.7,;2.31,9.36,;,5.36,;.77,4.03,;2.31,4.03,;3.08,2.69,)| | PDB
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UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ability to displace [3H]glycine from strychnine-insensitive glycine receptor |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553480
(CHEMBL4741442)Show SMILES C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1Br |r| | PDB
MMDB
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UniChem
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
ETA receptor antagonist activity was measured by inhibition of ET-1 induced vasoconstriction in isolated porcine coronary artery |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM164883
(US9067888, 33)Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r| Show InChI InChI=1S/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/m0/s1 | PDB
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Similars
| | n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
ETA receptor antagonist activity was measured by inhibition of ET-1 induced vasoconstriction in isolated porcine coronary artery |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM106950
(US8592581, 1)Show SMILES CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r| Show InChI InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1 | PDB
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Similars
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand. |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1 | PDB
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UniChem
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50193093
(RGB-286638)Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38) | MMDB
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Similars
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Blocking activity against Beta-2 adrenergic receptor in guinea pig tracheal strips |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50593922
(CHEMBL5199065)Show SMILES CCC(CC)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r| | PDB
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| PDB
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Effective concentration required for inhibitory activity towards human beta-1 adrenergic receptor |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50404387
(CHEMBL5287128)Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCCCCC1C(O)=O Show InChI InChI=1S/C24H33N5O6S/c1-35-18-10-8-16-9-11-19(15-17(16)14-18)36(33,34)28-20(6-5-12-27-24(25)26)22(30)29-13-4-2-3-7-21(29)23(31)32/h8-11,14-15,20-21,28H,2-7,12-13H2,1H3,(H,31,32)(H4,25,26,27) | MMDB
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UniChem
Similars
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ability to displace [3H]glycine from strychnine-insensitive glycine receptor |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50404385
(CHEMBL5273069)Show SMILES COCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccc(C)cc2c1 Show InChI InChI=1S/C22H31N5O6S/c1-15-5-6-16-7-8-18(13-17(16)12-15)34(31,32)26-19(4-3-9-25-22(23)24)21(30)27(10-11-33-2)14-20(28)29/h5-8,12-13,19,26H,3-4,9-11,14H2,1-2H3,(H,28,29)(H4,23,24,25) | MMDB
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Similars
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve. |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50404387
(CHEMBL5287128)Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCCCCC1C(O)=O Show InChI InChI=1S/C24H33N5O6S/c1-35-18-10-8-16-9-11-19(15-17(16)14-18)36(33,34)28-20(6-5-12-27-24(25)26)22(30)29-13-4-2-3-7-21(29)23(31)32/h8-11,14-15,20-21,28H,2-7,12-13H2,1H3,(H,31,32)(H4,25,26,27) | PDB
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UniChem
Similars
| | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as concentration required to incapacitate 50% of the population exposed to t... |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM27344
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16) | PDB
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Similars
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PARP1 (unknown origin) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB
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Similars
| DrugBank
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50553488
(CHEMBL4743691)Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1 | MMDB
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| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Effective concentration required for inhibitory activity towards human beta-1 adrenergic receptor |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50404387
(CHEMBL5287128)Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCCCCC1C(O)=O Show InChI InChI=1S/C24H33N5O6S/c1-35-18-10-8-16-9-11-19(15-17(16)14-18)36(33,34)28-20(6-5-12-27-24(25)26)22(30)29-13-4-2-3-7-21(29)23(31)32/h8-11,14-15,20-21,28H,2-7,12-13H2,1H3,(H,31,32)(H4,25,26,27) | MMDB
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Similars
| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ability to displace [3H]glycine from strychnine-insensitive glycine receptor |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50193104
(CHEMBL3905910)Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF3NO5/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3/t12-,14+/m1/s1 | PDB
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UniChem
Similars
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferens |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM167699
(US9073922, 186 | US9796708, Example 186)Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:21| | PDB
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PC sid
UniChem
Similars
| | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Blocking activity against Beta-2 adrenergic receptor in guinea pig tracheal strips |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM354126
(US9796708, Example 1358 | trans-4-{4-[5-fluoro-4-(...)Show SMILES COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)| | PDB
MMDB
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Reactome pathway
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| PC cid
PC sid
UniChem
| | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Blocking activity against Beta-2 adrenergic receptor in guinea pig tracheal strips |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-K
(Homo sapiens (Human)) | BDBM8131
(N-(4-Isopropylphenyl)-4-pyrazolo[1,5-b]pyridazin-3...)Show InChI InChI=1S/C19H18N6/c1-13(2)14-5-7-15(8-6-14)23-19-20-11-9-17(24-19)16-12-22-25-18(16)4-3-10-21-25/h3-13H,1-2H3,(H,20,23,24) | PDB
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Similars
| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ability to displace [3H]glycine from strychnine-insensitive glycine receptor |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50404388
(P 276-00 free base | P-276-00 free base | P276-00 ...)Show SMILES CC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C25H36N6O5S/c1-16-12-14-31(21(15-16)24(33)34)23(32)19(9-6-13-28-25(26)27)29-37(35,36)22-11-5-7-17-18(22)8-4-10-20(17)30(2)3/h4-5,7-8,10-11,16,19,21,29H,6,9,12-15H2,1-3H3,(H,33,34)(H4,26,27,28) | MMDB
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Similars
| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human plasma renin |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM106950
(US8592581, 1)Show SMILES CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r| Show InChI InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1 | PDB
MMDB
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PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50404387
(CHEMBL5287128)Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCCCCC1C(O)=O Show InChI InChI=1S/C24H33N5O6S/c1-35-18-10-8-16-9-11-19(15-17(16)14-18)36(33,34)28-20(6-5-12-27-24(25)26)22(30)29-13-4-2-3-7-21(29)23(31)32/h8-11,14-15,20-21,28H,2-7,12-13H2,1H3,(H,31,32)(H4,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50193104
(CHEMBL3905910)Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF3NO5/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3/t12-,14+/m1/s1 | PDB
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| | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of [125I]NDP-MSH (radioligand) binding to human MC1R at 10 um concentration stably expressed in HEK293 cells |
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Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM106950
(US8592581, 1)Show SMILES CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r| Show InChI InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1 | PDB
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| | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]SR141716 from CB1 receptor in rat cerebellum homogenate at 100 uM |
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Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of [125I]NDP-MSH (radioligand) binding to human MC1R at 10 um concentration stably expressed in HEK293 cells |
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50404386
(CHEMBL5287796)Show SMILES COCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C21H29N5O6S/c1-32-13-12-26(14-19(27)28)20(29)17(9-5-11-24-21(22)23)25-33(30,31)18-10-4-7-15-6-2-3-8-16(15)18/h2-4,6-8,10,17,25H,5,9,11-14H2,1H3,(H,27,28)(H4,22,23,24) | PDB
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TBA
| Assay Description
ETA receptor antagonist activity was measured by inhibition of ET-1 induced vasoconstriction in isolated porcine coronary artery |
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Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM27344
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16) | PDB
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| | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In Vitro binding affinity for imidazoline receptor I-1 of rabbit kidney at 10e-7 M |
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Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50013510
(CHEMBL3263773)Show SMILES COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1 Show InChI InChI=1S/C18H18N4O3S/c1-25-17-8-3-2-7-15(17)16-10-18(21-12-20-16)22-14-6-4-5-13(9-14)11-26(19,23)24/h2-10,12H,11H2,1H3,(H2,19,23,24)(H,20,21,22) | MMDB
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TBA
| Assay Description
The compound was evaluated for its relative binding affinity against mutant Y30F scytalone dehydratase; Relative Ki |
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | MMDB
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| | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Blocking activity against Beta-1 adrenergic receptor in spontaneously beating guinea pig atrial preparations |
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Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50404389
(CHEMBL5285499)Show SMILES COCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2cc3OCCOc3cc2c1 Show InChI InChI=1S/C23H31N5O8S/c1-34-8-7-28(14-21(29)30)22(31)18(3-2-6-26-23(24)25)27-37(32,33)17-5-4-15-12-19-20(13-16(15)11-17)36-10-9-35-19/h4-5,11-13,18,27H,2-3,6-10,14H2,1H3,(H,29,30)(H4,24,25,26) | PDB
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TBA
| Assay Description
Effective concentration required for inhibitory activity towards human beta-1 adrenergic receptor |
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Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50553480
(CHEMBL4741442)Show SMILES C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1Br |r| | PDB
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TBA
| Assay Description
Inhibition of [125I]NDP-MSH (radioligand) binding to human MC1R at 10 um concentration stably expressed in HEK293 cells |
Citation and Details
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More data for this
Ligand-Target Pair | |
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