Found 1749 hits with Last Name = 'perkins' and Initial = 'jj' 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 |
|---|
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391916
(CHEMBL2147556)Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@@]2(O)CCc1ccccc1C(=O)NCC=C)-c1ccc(F)cc1 |r,c:9| Show InChI InChI=1S/C29H30FN3O2/c1-3-16-31-27(34)25-7-5-4-6-20(25)12-14-29(35)15-13-22-17-26-21(18-28(22,29)2)19-32-33(26)24-10-8-23(30)9-11-24/h3-11,17,19,35H,1,12-16,18H2,2H3,(H,31,34)/t28-,29-/m0/s1 | PDB
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PC sid
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391923
(CHEMBL2147566)Show SMILES CC(C)(CO)NC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |r,t:21| Show InChI InChI=1S/C30H34FN3O3/c1-28(2,19-35)33-27(36)25-7-5-4-6-20(25)12-14-30(37)15-13-22-16-26-21(17-29(22,30)3)18-32-34(26)24-10-8-23(31)9-11-24/h4-11,16,18,35,37H,12-15,17,19H2,1-3H3,(H,33,36)/t29-,30-/m0/s1 | PDB
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391913
(CHEMBL2147553)Show SMILES CNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |r,t:17| Show InChI InChI=1S/C27H28FN3O2/c1-26-16-19-17-30-31(22-9-7-21(28)8-10-22)24(19)15-20(26)12-14-27(26,33)13-11-18-5-3-4-6-23(18)25(32)29-2/h3-10,15,17,33H,11-14,16H2,1-2H3,(H,29,32)/t26-,27-/m0/s1 | PDB
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PC sid
UniChem
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391917
(CHEMBL2147557)Show SMILES CCCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |r,t:19| Show InChI InChI=1S/C29H32FN3O2/c1-3-16-31-27(34)25-7-5-4-6-20(25)12-14-29(35)15-13-22-17-26-21(18-28(22,29)2)19-32-33(26)24-10-8-23(30)9-11-24/h4-11,17,19,35H,3,12-16,18H2,1-2H3,(H,31,34)/t28-,29-/m0/s1 | PDB
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391920
(CHEMBL2147562)Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@@]2(O)CCc1ccccc1C(N)=O)-c1ccc(F)cc1 |r,c:9| Show InChI InChI=1S/C26H26FN3O2/c1-25-15-18-16-29-30(21-8-6-20(27)7-9-21)23(18)14-19(25)11-13-26(25,32)12-10-17-4-2-3-5-22(17)24(28)31/h2-9,14,16,32H,10-13,15H2,1H3,(H2,28,31)/t25-,26-/m0/s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391919
(CHEMBL2147561)Show SMILES CCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |r,t:18| Show InChI InChI=1S/C28H30FN3O2/c1-3-30-26(33)24-7-5-4-6-19(24)12-14-28(34)15-13-21-16-25-20(17-27(21,28)2)18-31-32(25)23-10-8-22(29)9-11-23/h4-11,16,18,34H,3,12-15,17H2,1-2H3,(H,30,33)/t27-,28-/m0/s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391925
(CHEMBL2147569)Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@@]2(O)CCc1ccc(F)cc1C(N)=O)-c1ccc(F)cc1 |r,c:9| Show InChI InChI=1S/C26H25F2N3O2/c1-25-14-17-15-30-31(21-6-4-19(27)5-7-21)23(17)12-18(25)9-11-26(25,33)10-8-16-2-3-20(28)13-22(16)24(29)32/h2-7,12-13,15,33H,8-11,14H2,1H3,(H2,29,32)/t25-,26-/m0/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391924
(CHEMBL2147567)Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@@]2(O)CCc1cccc(F)c1C(=O)NC1(CO)CC1)-c1ccc(F)cc1 |r,c:9| Show InChI InChI=1S/C30H31F2N3O3/c1-28-16-20-17-33-35(23-7-5-22(31)6-8-23)25(20)15-21(28)10-12-30(28,38)11-9-19-3-2-4-24(32)26(19)27(37)34-29(18-36)13-14-29/h2-8,15,17,36,38H,9-14,16,18H2,1H3,(H,34,37)/t28-,30-/m0/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391918
(CHEMBL2147558)Show SMILES CC(C)NC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |r,t:19| Show InChI InChI=1S/C29H32FN3O2/c1-19(2)32-27(34)25-7-5-4-6-20(25)12-14-29(35)15-13-22-16-26-21(17-28(22,29)3)18-31-33(26)24-10-8-23(30)9-11-24/h4-11,16,18-19,35H,12-15,17H2,1-3H3,(H,32,34)/t28-,29-/m0/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391922
(CHEMBL2147564)Show SMILES CC(C)(C)NC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |r,t:20| Show InChI InChI=1S/C30H34FN3O2/c1-28(2,3)33-27(35)25-8-6-5-7-20(25)13-15-30(36)16-14-22-17-26-21(18-29(22,30)4)19-32-34(26)24-11-9-23(31)10-12-24/h5-12,17,19,36H,13-16,18H2,1-4H3,(H,33,35)/t29-,30-/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391914
(CHEMBL2147554)Show SMILES CNC(=O)c1cccc(CC[C@]2(O)CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)c1 |r,t:15| Show InChI InChI=1S/C27H28FN3O2/c1-26-16-20-17-30-31(23-8-6-22(28)7-9-23)24(20)15-21(26)11-13-27(26,33)12-10-18-4-3-5-19(14-18)25(32)29-2/h3-9,14-15,17,33H,10-13,16H2,1-2H3,(H,29,32)/t26-,27-/m0/s1 | PDB
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PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391921
(CHEMBL2147563)Show SMILES CCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(cnn3-c3ccc(F)cc3)C(O)[C@]12C |r,t:18| Show InChI InChI=1S/C28H30FN3O3/c1-3-30-26(34)22-7-5-4-6-18(22)12-14-28(35)15-13-19-16-24-23(25(33)27(19,28)2)17-31-32(24)21-10-8-20(29)9-11-21/h4-11,16-17,25,33,35H,3,12-15H2,1-2H3,(H,30,34)/t25?,27-,28+/m1/s1 | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391926
(CHEMBL2147572)Show SMILES C[C@]12C(O)c3cnn(c3C=C1CC[C@@]2(O)CCc1ccc(F)cc1C(N)=O)-c1ccc(F)cc1 |r,c:10| Show InChI InChI=1S/C26H25F2N3O3/c1-25-16(9-11-26(25,34)10-8-15-2-3-18(28)13-20(15)24(29)33)12-22-21(23(25)32)14-30-31(22)19-6-4-17(27)5-7-19/h2-7,12-14,23,32,34H,8-11H2,1H3,(H2,29,33)/t23?,25-,26+/m1/s1 | PDB
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| Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391915
(CHEMBL2147555)Show SMILES CNC(=O)c1ccc(CC[C@]2(O)CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)cc1 |r,t:14| Show InChI InChI=1S/C27H28FN3O2/c1-26-16-20-17-30-31(23-9-7-22(28)8-10-23)24(20)15-21(26)12-14-27(26,33)13-11-18-3-5-19(6-4-18)25(32)29-2/h3-10,15,17,33H,11-14,16H2,1-2H3,(H,29,32)/t26-,27-/m0/s1 | PDB
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PubMed
| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391928
(CHEMBL2147629)Show SMILES C[C@]12Cc3cnn(c3C=C1[C@H](O)C[C@@]2(O)CCc1ccc(F)cc1C(N)=O)-c1ccc(F)cc1 |r,c:9| Show InChI InChI=1S/C26H25F2N3O3/c1-25-12-16-14-30-31(19-6-4-17(27)5-7-19)22(16)11-21(25)23(32)13-26(25,34)9-8-15-2-3-18(28)10-20(15)24(29)33/h2-7,10-11,14,23,32,34H,8-9,12-13H2,1H3,(H2,29,33)/t23-,25+,26+/m1/s1 | PDB
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PubMed
| >400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391927
(CHEMBL2147573)Show SMILES Cc1cc2cnn(-c3ccc(F)cc3)c2cc1CCC(=O)CCc1ccc(F)cc1C(O)=O Show InChI InChI=1S/C26H22F2N2O3/c1-16-12-19-15-29-30(22-8-6-20(27)7-9-22)25(19)13-18(16)4-11-23(31)10-3-17-2-5-21(28)14-24(17)26(32)33/h2,5-9,12-15H,3-4,10-11H2,1H3,(H,32,33) | PDB
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| Article
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| >400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054
BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092512
(2-Benzenesulfonylamino-3-{4-[2-(5,6,7,8-tetrahydro...)Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCc2ccc3CCCNc3n2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H28N4O5S/c31-25(28-17-23(26(32)33)30-36(34,35)22-6-2-1-3-7-22)20-11-8-18(9-12-20)10-14-21-15-13-19-5-4-16-27-24(19)29-21/h1-3,6-9,11-13,15,23,30H,4-5,10,14,16-17H2,(H,27,29)(H,28,31)(H,32,33)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3 |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50134778
((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,...)Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1 | PDB
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PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alphaV-beta3 integrin binding |
J Med Chem 46: 4790-8 (2003)
Article DOI: 10.1021/jm030306r
BindingDB Entry DOI: 10.7270/Q29K49N1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092511
(3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoylamino...)Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccc(I)cc2)C(O)=O)n1 Show InChI InChI=1S/C23H23IN4O5S/c24-17-9-12-19(13-10-17)34(32,33)28-20(23(30)31)14-26-22(29)16-7-4-15(5-8-16)6-11-18-2-1-3-21(25)27-18/h1-5,7-10,12-13,20,28H,6,11,14H2,(H2,25,27)(H,26,29)(H,30,31)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
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| PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3 |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50134777
((S)-3-(2,3-Dihydro-benzofuran-6-yl)-3-{2-oxo-3-[3-...)Show SMILES OC(=O)C[C@H](N1CCN(CCCc2ccc3CCCNc3n2)C1=O)c1ccc2CCOc2c1 Show InChI InChI=1S/C25H30N4O4/c30-23(31)16-21(19-6-5-17-9-14-33-22(17)15-19)29-13-12-28(25(29)32)11-2-4-20-8-7-18-3-1-10-26-24(18)27-20/h5-8,15,21H,1-4,9-14,16H2,(H,26,27)(H,30,31)/t21-/m0/s1 | PDB
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PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alphaV-beta3 integrin binding |
J Med Chem 46: 4790-8 (2003)
Article DOI: 10.1021/jm030306r
BindingDB Entry DOI: 10.7270/Q29K49N1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092511
(3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoylamino...)Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccc(I)cc2)C(O)=O)n1 Show InChI InChI=1S/C23H23IN4O5S/c24-17-9-12-19(13-10-17)34(32,33)28-20(23(30)31)14-26-22(29)16-7-4-15(5-8-16)6-11-18-2-1-3-21(25)27-18/h1-5,7-10,12-13,20,28H,6,11,14H2,(H2,25,27)(H,26,29)(H,30,31)/t20-/m0/s1 | PDB
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| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50136246
((S)-3-{(R)-2-Oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]nap...)Show SMILES OC(=O)C[C@H](N1CC[C@@H](CCCc2ccc3CCCNc3n2)C1=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C27H30N4O3/c32-25(33)16-24(21-15-20-5-1-2-9-23(20)29-17-21)31-14-12-19(27(31)34)6-3-8-22-11-10-18-7-4-13-28-26(18)30-22/h1-2,5,9-11,15,17,19,24H,3-4,6-8,12-14,16H2,(H,28,30)(H,32,33)/t19-,24+/m1/s1 | PDB
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| CHEMBL
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| PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled nonpeptide from purified recombinant human alphaV-beta3 integrin |
Bioorg Med Chem Lett 13: 4285-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8T08 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human)) | BDBM621933
((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5- chl...)Show SMILES Fc1ccc(cc1Cl)[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1cc2cc(Cl)ccc2o1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human)) | BDBM630994
((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5- chl...)Show SMILES Fc1ccc(cc1Cl)C(NC(=O)[C@@H]1CNC(=O)N1)c1cc2cc(Cl)ccc2o1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human)) | BDBM630994
((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5- chl...)Show SMILES Fc1ccc(cc1Cl)C(NC(=O)[C@@H]1CNC(=O)N1)c1cc2cc(Cl)ccc2o1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human)) | BDBM621932
((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5- chl...)Show SMILES Fc1ccc(cc1Cl)[C@H](NC(=O)[C@@H]1CNC(=O)N1)c1cc2cc(Cl)ccc2o1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50136245
((S)-3-(2,3-Dihydro-benzofuran-6-yl)-3-{(S)-2-oxo-3...)Show SMILES OC(=O)C[C@H](N1CC[C@H](CCCc2ccc3CCCNc3n2)C1=O)c1ccc2CCOc2c1 Show InChI InChI=1S/C26H31N3O4/c30-24(31)16-22(20-7-6-17-11-14-33-23(17)15-20)29-13-10-19(26(29)32)3-1-5-21-9-8-18-4-2-12-27-25(18)28-21/h6-9,15,19,22H,1-5,10-14,16H2,(H,27,28)(H,30,31)/t19-,22-/m0/s1 | PDB
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| PubMed
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled nonpeptide from purified recombinant human alphaV-beta3 integrin |
Bioorg Med Chem Lett 13: 4285-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8T08 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50134780
((S)-3-{2-Oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthy...)Show SMILES OC(=O)C[C@H](N1CCN(CCCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C22H27N5O3/c28-20(29)14-19(17-5-1-9-23-15-17)27-13-12-26(22(27)30)11-3-6-18-8-7-16-4-2-10-24-21(16)25-18/h1,5,7-9,15,19H,2-4,6,10-14H2,(H,24,25)(H,28,29)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alphaV-beta3 integrin binding |
J Med Chem 46: 4790-8 (2003)
Article DOI: 10.1021/jm030306r
BindingDB Entry DOI: 10.7270/Q29K49N1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50136244
((S)-3-{(S)-2-Oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]nap...)Show SMILES OC(=O)C[C@H](N1CC[C@H](CCCc2ccc3CCCNc3n2)C1=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C27H30N4O3/c32-25(33)16-24(21-15-20-5-1-2-9-23(20)29-17-21)31-14-12-19(27(31)34)6-3-8-22-11-10-18-7-4-13-28-26(18)30-22/h1-2,5,9-11,15,17,19,24H,3-4,6-8,12-14,16H2,(H,28,30)(H,32,33)/t19-,24-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
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| PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled nonpeptide from purified recombinant human alphaV-beta3 integrin |
Bioorg Med Chem Lett 13: 4285-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8T08 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 10 subunit alpha
(Homo sapiens (Human)) | BDBM50547894
(CHEMBL4760292 | US11377438, Example 172)Show SMILES Cc1nc(N2CCCC(F)(F)CC2)c(cc1Cl)C(=O)Nc1ccnc(c1)S(N)(=O)=O | PDB
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| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following buffers were used for the QubeŽ recordings: External buffer for Nav1.8 QubeŽ recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 1... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q22R3VXD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092512
(2-Benzenesulfonylamino-3-{4-[2-(5,6,7,8-tetrahydro...)Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCc2ccc3CCCNc3n2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H28N4O5S/c31-25(28-17-23(26(32)33)30-36(34,35)22-6-2-1-3-7-22)20-11-8-18(9-12-20)10-14-21-15-13-19-5-4-16-27-24(19)29-21/h1-3,6-9,11-13,15,23,30H,4-5,10,14,16-17H2,(H,27,29)(H,28,31)(H,32,33)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50134776
((S)-3-(3-Fluoro-4-methoxy-phenyl)-3-{2-oxo-3-[3-(5...)Show SMILES COc1ccc(cc1F)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C24H29FN4O4/c1-33-21-9-7-17(14-19(21)25)20(15-22(30)31)29-13-12-28(24(29)32)11-3-5-18-8-6-16-4-2-10-26-23(16)27-18/h6-9,14,20H,2-5,10-13,15H2,1H3,(H,26,27)(H,30,31)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alphaV-beta3 integrin binding |
J Med Chem 46: 4790-8 (2003)
Article DOI: 10.1021/jm030306r
BindingDB Entry DOI: 10.7270/Q29K49N1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50107397
((S)-3-(2-{(S)-2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]...)Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C24H29N5O4/c30-21(28-20(13-22(31)32)18-4-1-10-25-14-18)15-29-12-9-17(24(29)33)6-8-19-7-5-16-3-2-11-26-23(16)27-19/h1,4-5,7,10,14,17,20H,2-3,6,8-9,11-13,15H2,(H,26,27)(H,28,30)(H,31,32)/t17-,20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay |
Bioorg Med Chem Lett 12: 25-9 (2001)
BindingDB Entry DOI: 10.7270/Q289171X |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50136247
((S)-3-(2,3-Dihydro-benzofuran-6-yl)-3-{(R)-2-oxo-3...)Show SMILES OC(=O)C[C@H](N1CC[C@@H](CCCc2ccc3CCCNc3n2)C1=O)c1ccc2CCOc2c1 Show InChI InChI=1S/C26H31N3O4/c30-24(31)16-22(20-7-6-17-11-14-33-23(17)15-20)29-13-10-19(26(29)32)3-1-5-21-9-8-18-4-2-12-27-25(18)28-21/h6-9,15,19,22H,1-5,10-14,16H2,(H,27,28)(H,30,31)/t19-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled nonpeptide from purified recombinant human alphaV-beta3 integrin |
Bioorg Med Chem Lett 13: 4285-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8T08 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human)) | BDBM621910
((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5-chlo...)Show SMILES Fc1ccc(cc1Cl)C(NC(=O)[C@@H]1CNC(=O)N1)c1ccc(Cl)c(n1)C(F)(F)F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human)) | BDBM621911
((S)-N-((R or S)-(3- chloro-4- fluorophenyl)(5-chlo...)Show SMILES Fc1ccc(cc1Cl)[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1ccc(Cl)c(n1)C(F)(F)F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092509
((S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoyla...)Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(O)=O)n1 Show InChI InChI=1S/C23H24N4O5S/c24-21-8-4-5-18(26-21)14-11-16-9-12-17(13-10-16)22(28)25-15-20(23(29)30)27-33(31,32)19-6-2-1-3-7-19/h1-10,12-13,20,27H,11,14-15H2,(H2,24,26)(H,25,28)(H,29,30)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50134779
((S)-3-{3-[3-(7-Hydroxy-5,6,7,8-tetrahydro-[1,8]nap...)Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCC(O)Nc3n2)C1=O Show InChI InChI=1S/C23H29N5O5/c1-33-20-9-6-16(14-24-20)18(13-21(30)31)28-12-11-27(23(28)32)10-2-3-17-7-4-15-5-8-19(29)26-22(15)25-17/h4,6-7,9,14,18-19,29H,2-3,5,8,10-13H2,1H3,(H,25,26)(H,30,31)/t18-,19?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alphaV-beta3 integrin binding |
J Med Chem 46: 4790-8 (2003)
Article DOI: 10.1021/jm030306r
BindingDB Entry DOI: 10.7270/Q29K49N1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092509
((S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoyla...)Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(O)=O)n1 Show InChI InChI=1S/C23H24N4O5S/c24-21-8-4-5-18(26-21)14-11-16-9-12-17(13-10-16)22(28)25-15-20(23(29)30)27-33(31,32)19-6-2-1-3-7-19/h1-10,12-13,20,27H,11,14-15H2,(H2,24,26)(H,25,28)(H,29,30)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3 |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 10 subunit alpha
(Homo sapiens (Human)) | BDBM50547896
(CHEMBL4777598 | US11377438, Example 184)Show SMILES Cc1nc(N2CCCC(F)(F)CC2)c(cc1C(F)(F)F)C(=O)Nc1ccnc(c1)S(N)(=O)=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following buffers were used for the QubeŽ recordings: External buffer for Nav1.8 QubeŽ recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 1... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q22R3VXD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human)) | BDBM621824
((S)-N-((R or S)-(4- chlorophenyl)(4- fluoro-3-(tri...)Show SMILES Fc1ccc(cc1C(F)(F)F)[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1ccc(Cl)cc1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human)) | BDBM630957
((S)-N-((R or S)-(4- chlorophenyl)(4- fluoro-3-(tri...)Show SMILES Fc1ccc(cc1C(F)(F)F)C(NC(=O)[C@@H]1CNC(=O)N1)c1ccc(Cl)cc1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50116976
((S)-3-Quinolin-3-yl-3-[2-(4-5,6,7,8-tetrahydro-[1,...)Show SMILES OC(=O)C[C@H](NC(=O)CNC(=O)CCCc1ccc2CCCNc2n1)c1cnc2ccccc2c1 Show InChI InChI=1S/C26H29N5O4/c32-23(9-3-7-20-11-10-17-6-4-12-27-26(17)30-20)29-16-24(33)31-22(14-25(34)35)19-13-18-5-1-2-8-21(18)28-15-19/h1-2,5,8,10-11,13,15,22H,3-4,6-7,9,12,14,16H2,(H,27,30)(H,29,32)(H,31,33)(H,34,35)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of binding to human alpha V beta3 |
Bioorg Med Chem Lett 12: 2463-5 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6F2M |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human)) | BDBM621909
((S)-N-(bis(3-chloro-4- fluorophenyl)methyl)- 2-oxo...)Show SMILES Fc1ccc(cc1Cl)C(NC(=O)[C@@H]1CNC(=O)N1)c1ccc(F)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092508
(2-Benzenesulfonylamino-3-{4-[2-(1,4,5,6-tetrahydro...)Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1)NS(=O)(=O)c1ccccc1 |t:16| Show InChI InChI=1S/C22H27N5O6S/c28-20(26-15-19(21(29)30)27-34(31,32)18-5-2-1-3-6-18)16-7-9-17(10-8-16)33-14-13-25-22-23-11-4-12-24-22/h1-3,5-10,19,27H,4,11-15H2,(H,26,28)(H,29,30)(H2,23,24,25)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human)) | BDBM621909
((S)-N-(bis(3-chloro-4- fluorophenyl)methyl)- 2-oxo...)Show SMILES Fc1ccc(cc1Cl)C(NC(=O)[C@@H]1CNC(=O)N1)c1ccc(F)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium channel protein type 10 subunit alpha
(Homo sapiens (Human)) | BDBM560005
(US11377438, Example 53)Show SMILES C[C@H]1CN(C[C@@H](C)C1(F)F)c1nc(C)c(Cl)cc1C(=O)Nc1ccnc(c1)S(N)(=O)=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following buffers were used for the QubeŽ recordings: External buffer for Nav1.8 QubeŽ recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 1... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q22R3VXD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 10 subunit alpha
(Homo sapiens (Human)) | BDBM50547885
(CHEMBL4781110 | US11377438, Example 18)Show SMILES NS(=O)(=O)c1cc(NC(=O)c2ccc(CC3CC3)nc2N2CCCC(F)(F)CC2)ccn1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The following buffers were used for the QubeŽ recordings: External buffer for Nav1.8 QubeŽ recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 1... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q22R3VXD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50092508
(2-Benzenesulfonylamino-3-{4-[2-(1,4,5,6-tetrahydro...)Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1)NS(=O)(=O)c1ccccc1 |t:16| Show InChI InChI=1S/C22H27N5O6S/c28-20(26-15-19(21(29)30)27-34(31,32)18-5-2-1-3-6-18)16-7-9-17(10-8-16)33-14-13-25-22-23-11-4-12-24-22/h1-3,5-10,19,27H,4,11-15H2,(H,26,28)(H,29,30)(H2,23,24,25)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3 |
J Med Chem 43: 3736-45 (2000)
BindingDB Entry DOI: 10.7270/Q2833T7B |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50107399
((S)-3-(2-{(R)-2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]...)Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C24H29N5O4/c30-21(28-20(13-22(31)32)18-4-1-10-25-14-18)15-29-12-9-17(24(29)33)6-8-19-7-5-16-3-2-11-26-23(16)27-19/h1,4-5,7,10,14,17,20H,2-3,6,8-9,11-13,15H2,(H,26,27)(H,28,30)(H,31,32)/t17-,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 integrin |
Bioorg Med Chem Lett 12: 25-9 (2001)
BindingDB Entry DOI: 10.7270/Q289171X |
More data for this
Ligand-Target Pair | |
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