Found 827 hits with Last Name = 'mercer' and Initial = 'se' 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 |
|---|
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50184069
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1 | PDB
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Antagonist activity at human CGRP receptor |
Bioorg Med Chem Lett 23: 3157-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.012
BindingDB Entry DOI: 10.7270/Q2348MSQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50184069
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1 | PDB
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells |
ACS Med Chem Lett 3: 337-341 (2012)
Article DOI: 10.1021/ml300021s
BindingDB Entry DOI: 10.7270/Q26D5V2R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50268484
((R)-4-(8-Fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-...)Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C35H45FN8O3/c1-23-18-24(19-26-21-37-40-31(23)26)20-30(33(45)42-14-8-27(9-15-42)41-12-3-2-4-13-41)38-34(46)43-16-10-28(11-17-43)44-22-25-6-5-7-29(36)32(25)39-35(44)47/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,47)/t30-/m1/s1 | PDB
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| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Antagonist activity at human CGRP receptor |
Bioorg Med Chem Lett 23: 3157-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.012
BindingDB Entry DOI: 10.7270/Q2348MSQ |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50356282
(CHEMBL1910936)Show SMILES Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1 | PDB
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Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Antagonist activity at human CGRP receptor |
Bioorg Med Chem Lett 23: 3157-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.012
BindingDB Entry DOI: 10.7270/Q2348MSQ |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50436107
(CHEMBL2397415)Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r| Show InChI InChI=1S/C36H46N8O3/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47)/t32-/m1/s1 | PDB
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| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cell membranes after 2 hrs by scintillation counting analysis |
Bioorg Med Chem Lett 23: 3157-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.012
BindingDB Entry DOI: 10.7270/Q2348MSQ |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50388882
(CHEMBL2063115)Show SMILES Fc1cccc([C@@H]2CC[C@@H](OC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncccc3C2)c1F |r| Show InChI InChI=1S/C28H27F2N5O3/c29-21-6-1-5-20(24(21)30)17-8-9-23(25-18(16-17)4-2-12-31-25)38-28(37)34-14-10-19(11-15-34)35-22-7-3-13-32-26(22)33-27(35)36/h1-7,12-13,17,19,23H,8-11,14-16H2,(H,32,33,36)/t17-,23-/m1/s1 | PDB
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| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells |
ACS Med Chem Lett 3: 337-341 (2012)
Article DOI: 10.1021/ml300021s
BindingDB Entry DOI: 10.7270/Q26D5V2R |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50382794
(CHEMBL2023191)Show SMILES CN(C)C(=O)c1cc(Cl)nc(c1)C(Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O Show InChI InChI=1S/C30H31ClN8O4/c1-17-11-18(12-20-16-33-36-26(17)20)13-24(22-14-19(15-25(31)34-22)28(40)37(2)3)43-30(42)38-9-6-21(7-10-38)39-23-5-4-8-32-27(23)35-29(39)41/h4-5,8,11-12,14-16,21,24H,6-7,9-10,13H2,1-3H3,(H,33,36)(H,32,35,41) | PDB
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| 0.0710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells |
ACS Med Chem Lett 3: 337-341 (2012)
Article DOI: 10.1021/ml300021s
BindingDB Entry DOI: 10.7270/Q26D5V2R |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548648
(CHEMBL4746329)Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| | PDB
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| PC cid
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| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548647
(CHEMBL4746351)Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| | PDB
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| PC cid
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| Article
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548656
(CHEMBL4741882)Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| | PDB
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548655
(CHEMBL4755081)Show SMILES CC(C)(C)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3Cc4cccc(F)c4NC3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| | PDB
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50183715
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29) | PDB
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| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of porcine TACE |
Bioorg Med Chem Lett 16: 2699-704 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548657
(CHEMBL4755588)Show SMILES CC(C)(C)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| | PDB
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| PC cid
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| Article
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| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548652
(CHEMBL4754995)Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)c3cc4ccccc4[nH]c3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| | PDB
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| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548654
(CHEMBL4740622)Show SMILES CC(C)(C)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)c3cc4ccccc4[nH]c3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| | PDB
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| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50224431
(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F Show InChI InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1 | PDB
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| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Antagonist activity at human CGRP receptor |
Bioorg Med Chem Lett 23: 3157-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.012
BindingDB Entry DOI: 10.7270/Q2348MSQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548659
(CHEMBL4777037)Show SMILES Clc1cc2C[C@@H](NC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C(=O)N(Cc3ccccc3)Cc2c2cn[nH]c12 |r| | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548658
(CHEMBL4798946)Show SMILES CC(C)(C)CN1Cc2c(C[C@@H](NC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548649
(CHEMBL4763305)Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)n3c4ccccc4[nH]c3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| | PDB
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548660
(CHEMBL4759604)Show SMILES CC(C)(C)CN1Cc2c(C[C@@H](NC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C1=O)ccc1[nH]ncc21 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP9 |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548651
(CHEMBL4785845)Show SMILES Fc1cccc2cc(C3CCN(CC3)C(=O)C[C@@H]3Cc4cc(Cl)c5[nH]ncc5c4CN(CC(F)(F)F)C3=O)c(=O)[nH]c12 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548653
(CHEMBL4755474)Show SMILES CC(C)(C)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)c3cc4cccc(F)c4[nH]c3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548666
(CHEMBL4749085)Show SMILES O=C(N[C@@H]1Cc2ccc3[nH]ncc3c2CN(CCc2ccncc2)C1=O)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548650
(CHEMBL4761776)Show SMILES Fc1cccc2CCN(C3CCN(CC3)C(=O)C[C@@H]3Cc4cc(Cl)c5[nH]ncc5c4CN(CC(F)(F)F)C3=O)C(=O)Nc12 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548669
(CHEMBL4785088)Show SMILES O=C(N[C@@H]1Cc2ccc3[nH]ncc3c2CN(Cc2ccccc2)C1=O)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548661
(CHEMBL4787479)Show SMILES CC(C)CN1Cc2c(C[C@@H](NC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C1=O)ccc1[nH]ncc21 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50183711
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1 Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MMP7 |
Bioorg Med Chem Lett 16: 2699-704 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP1 |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548667
(CHEMBL4785645)Show SMILES O=C(N[C@@H]1Cc2ccc3[nH]ncc3c2CN(Cc2ccncc2)C1=O)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50183715
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MMP7 |
Bioorg Med Chem Lett 16: 2699-704 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548664
(CHEMBL4779094)Show SMILES O=C(N[C@@H]1Cc2ccc3[nH]ncc3c2CN(CCN2CCOCC2)C1=O)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548662
(CHEMBL4763543)Show SMILES CC(C)N1Cc2c(C[C@@H](NC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C1=O)ccc1[nH]ncc21 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50183715
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MMP3 |
Bioorg Med Chem Lett 16: 2699-704 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50183711
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1 Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MMP3 |
Bioorg Med Chem Lett 16: 2699-704 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3 |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50183711
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1 Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to ADAMTS5 |
Bioorg Med Chem Lett 16: 2699-704 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548665
(CHEMBL4759318)Show SMILES CN(C)CCN1Cc2c(C[C@@H](NC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C1=O)ccc1[nH]ncc21 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Stromelysin-2
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP10 |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50183711
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1 Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 217 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MMP8 |
Bioorg Med Chem Lett 16: 2699-704 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548663
(CHEMBL4792127)Show SMILES O=C(N[C@@H]1Cc2ccc3[nH]ncc3c2CN(C2CCNCC2)C1=O)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50548668
(CHEMBL4795912)Show SMILES CN1Cc2c(C[C@@H](NC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C1=O)ccc1[nH]ncc21 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human CGRP receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP7 |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 1
(Homo sapiens (Human)) | BDBM50183711
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1 Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 776 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to ADAMTS1 |
Bioorg Med Chem Lett 16: 2699-704 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50388881
(CHEMBL2063116)Show SMILES Fc1cccc([C@H]2CC[C@H](OC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncccc3C2)c1F |r| Show InChI InChI=1S/C28H27F2N5O3/c29-21-6-1-5-20(24(21)30)17-8-9-23(25-18(16-17)4-2-12-31-25)38-28(37)34-14-10-19(11-15-34)35-22-7-3-13-32-26(22)33-27(35)36/h1-7,12-13,17,19,23H,8-11,14-16H2,(H,32,33,36)/t17-,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells |
ACS Med Chem Lett 3: 337-341 (2012)
Article DOI: 10.1021/ml300021s
BindingDB Entry DOI: 10.7270/Q26D5V2R |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP14 |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50183711
(CHEMBL208009 | N-(4-(2-(hydroxyamino)-2-oxoethyl)p...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCNCC2)c2ccccc2n1 Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to ADAMTS4 |
Bioorg Med Chem Lett 16: 2699-704 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3 |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50183715
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to ADAMTS5 |
Bioorg Med Chem Lett 16: 2699-704 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3 |
More data for this
Ligand-Target Pair | |
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