Found 99 hits with Last Name = 'shuker' and Initial = 'n' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415362
(CHEMBL601857)Show SMILES Cc1ncc(-c2cc(Cl)cc(c2)-c2nnc(CC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)o2)n1C Show InChI InChI=1S/C26H25ClN8O3/c1-15-29-14-21(33(15)2)16-10-17(12-18(27)11-16)25-32-31-22(38-25)13-23(36)34-8-5-19(6-9-34)35-20-4-3-7-28-24(20)30-26(35)37/h3-4,7,10-12,14,19H,5-6,8-9,13H2,1-2H3,(H,28,30,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415354
(CHEMBL600836)Show SMILES Clc1cc(cc(c1)-c1ccccc1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C27H23ClN6O3/c28-20-14-18(17-5-2-1-3-6-17)13-19(15-20)26-32-31-23(37-26)16-24(35)33-11-8-21(9-12-33)34-22-7-4-10-29-25(22)30-27(34)36/h1-7,10,13-15,21H,8-9,11-12,16H2,(H,29,30,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415365
(CHEMBL609757)Show SMILES Cc1ccc(cn1)-c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C27H24ClN7O3/c1-16-4-5-17(15-30-16)18-11-19(13-20(28)12-18)26-33-32-23(38-26)14-24(36)34-9-6-21(7-10-34)35-22-3-2-8-29-25(22)31-27(35)37/h2-5,8,11-13,15,21H,6-7,9-10,14H2,1H3,(H,29,31,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415360
(CHEMBL610062)Show SMILES CCN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C28H32ClN7O3/c1-2-34-10-5-18(6-11-34)19-14-20(16-21(29)15-19)27-33-32-24(39-27)17-25(37)35-12-7-22(8-13-35)36-23-4-3-9-30-26(23)31-28(36)38/h3-4,9,14-16,18,22H,2,5-8,10-13,17H2,1H3,(H,30,31,38) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415352
(CHEMBL600636)Show SMILES FC(F)(F)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C22H18ClF3N6O3/c23-14-9-12(8-13(10-14)22(24,25)26)20-30-29-17(35-20)11-18(33)31-6-3-15(4-7-31)32-16-2-1-5-27-19(16)28-21(32)34/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,27,28,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415361
(CHEMBL592649)Show SMILES FC(F)CN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C28H30ClF2N7O3/c29-20-13-18(17-3-8-36(9-4-17)16-23(30)31)12-19(14-20)27-35-34-24(41-27)15-25(39)37-10-5-21(6-11-37)38-22-2-1-7-32-26(22)33-28(38)40/h1-2,7,12-14,17,21,23H,3-6,8-11,15-16H2,(H,32,33,40) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415359
(CHEMBL601854)Show SMILES CN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C27H30ClN7O3/c1-33-9-4-17(5-10-33)18-13-19(15-20(28)14-18)26-32-31-23(38-26)16-24(36)34-11-6-21(7-12-34)35-22-3-2-8-29-25(22)30-27(35)37/h2-3,8,13-15,17,21H,4-7,9-12,16H2,1H3,(H,29,30,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415358
(CHEMBL601639)Show SMILES CN1CCN(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C26H29ClN8O3/c1-32-9-11-33(12-10-32)20-14-17(13-18(27)15-20)25-31-30-22(38-25)16-23(36)34-7-4-19(5-8-34)35-21-3-2-6-28-24(21)29-26(35)37/h2-3,6,13-15,19H,4-5,7-12,16H2,1H3,(H,28,29,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415363
(CHEMBL605579)Show SMILES CN(C)CCOc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C25H28ClN7O4/c1-31(2)10-11-36-19-13-16(12-17(26)14-19)24-30-29-21(37-24)15-22(34)32-8-5-18(6-9-32)33-20-4-3-7-27-23(20)28-25(33)35/h3-4,7,12-14,18H,5-6,8-11,15H2,1-2H3,(H,27,28,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415356
(CHEMBL609472)Show SMILES Cc1cc(cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1)N1CCOCC1 Show InChI InChI=1S/C26H29N7O4/c1-17-13-18(15-20(14-17)31-9-11-36-12-10-31)25-30-29-22(37-25)16-23(34)32-7-4-19(5-8-32)33-21-3-2-6-27-24(21)28-26(33)35/h2-3,6,13-15,19H,4-5,7-12,16H2,1H3,(H,27,28,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415355
(CHEMBL600837)Show SMILES Clc1cc(cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1)N1CCOCC1 Show InChI InChI=1S/C25H26ClN7O4/c26-17-12-16(13-19(14-17)31-8-10-36-11-9-31)24-30-29-21(37-24)15-22(34)32-6-3-18(4-7-32)33-20-2-1-5-27-23(20)28-25(33)35/h1-2,5,12-14,18H,3-4,6-11,15H2,(H,27,28,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415353
(CHEMBL604949)Show SMILES COc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C22H21ClN6O4/c1-32-16-10-13(9-14(23)11-16)21-27-26-18(33-21)12-19(30)28-7-4-15(5-8-28)29-17-3-2-6-24-20(17)25-22(29)31/h2-3,6,9-11,15H,4-5,7-8,12H2,1H3,(H,24,25,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415364
(CHEMBL602475)Show SMILES CN(C)CCOc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)o1 Show InChI InChI=1S/C28H33ClN6O4/c1-33(2)13-14-38-23-16-20(15-21(29)17-23)27-32-31-25(39-27)18-26(36)34-10-8-22(9-11-34)35-12-7-19-5-3-4-6-24(19)30-28(35)37/h3-6,15-17,22H,7-14,18H2,1-2H3,(H,30,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415351
(CHEMBL601246)Show SMILES Clc1cc(Br)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H18BrClN6O3/c22-13-8-12(9-14(23)10-13)20-27-26-17(32-20)11-18(30)28-6-3-15(4-7-28)29-16-2-1-5-24-19(16)25-21(29)31/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,24,25,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415346
(CHEMBL602085)Show SMILES Clc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H18Cl2N6O3/c22-13-8-12(9-14(23)10-13)20-27-26-17(32-20)11-18(30)28-6-3-15(4-7-28)29-16-2-1-5-24-19(16)25-21(29)31/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,24,25,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415364
(CHEMBL602475)Show SMILES CN(C)CCOc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)o1 Show InChI InChI=1S/C28H33ClN6O4/c1-33(2)13-14-38-23-16-20(15-21(29)17-23)27-32-31-25(39-27)18-26(36)34-10-8-22(9-11-34)35-12-7-19-5-3-4-6-24(19)30-28(35)37/h3-6,15-17,22H,7-14,18H2,1-2H3,(H,30,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415360
(CHEMBL610062)Show SMILES CCN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C28H32ClN7O3/c1-2-34-10-5-18(6-11-34)19-14-20(16-21(29)15-19)27-33-32-24(39-27)17-25(37)35-12-7-22(8-13-35)36-23-4-3-9-30-26(23)31-28(36)38/h3-4,9,14-16,18,22H,2,5-8,10-13,17H2,1H3,(H,30,31,38) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415359
(CHEMBL601854)Show SMILES CN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C27H30ClN7O3/c1-33-9-4-17(5-10-33)18-13-19(15-20(28)14-18)26-32-31-23(38-26)16-24(36)34-11-6-21(7-12-34)35-22-3-2-8-29-25(22)30-27(35)37/h2-3,8,13-15,17,21H,4-7,9-12,16H2,1H3,(H,29,30,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415358
(CHEMBL601639)Show SMILES CN1CCN(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C26H29ClN8O3/c1-32-9-11-33(12-10-32)20-14-17(13-18(27)15-20)25-31-30-22(38-25)16-23(36)34-7-4-19(5-8-34)35-21-3-2-6-28-24(21)29-26(35)37/h2-3,6,13-15,19H,4-5,7-12,16H2,1H3,(H,28,29,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415366
(CHEMBL601455)Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C23H18F6N6O3/c24-22(25,26)13-8-12(9-14(10-13)23(27,28)29)20-33-32-17(38-20)11-18(36)34-6-3-15(4-7-34)35-16-2-1-5-30-19(16)31-21(35)37/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,30,31,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415348
(CHEMBL602086)Show SMILES Cc1cc(C)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C23H24N6O3/c1-14-10-15(2)12-16(11-14)22-27-26-19(32-22)13-20(30)28-8-5-17(6-9-28)29-18-4-3-7-24-21(18)25-23(29)31/h3-4,7,10-12,17H,5-6,8-9,13H2,1-2H3,(H,24,25,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415350
(CHEMBL601034)Show SMILES Fc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H18ClFN6O3/c22-13-8-12(9-14(23)10-13)20-27-26-17(32-20)11-18(30)28-6-3-15(4-7-28)29-16-2-1-5-24-19(16)25-21(29)31/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,24,25,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415349
(CHEMBL601033)Show SMILES COc1cc(OC)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C23H24N6O5/c1-32-16-10-14(11-17(12-16)33-2)22-27-26-19(34-22)13-20(30)28-8-5-15(6-9-28)29-18-4-3-7-24-21(18)25-23(29)31/h3-4,7,10-12,15H,5-6,8-9,13H2,1-2H3,(H,24,25,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415363
(CHEMBL605579)Show SMILES CN(C)CCOc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C25H28ClN7O4/c1-31(2)10-11-36-19-13-16(12-17(26)14-19)24-30-29-21(37-24)15-22(34)32-8-5-18(6-9-32)33-20-4-3-7-27-23(20)28-25(33)35/h3-4,7,12-14,18H,5-6,8-11,15H2,1-2H3,(H,27,28,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415361
(CHEMBL592649)Show SMILES FC(F)CN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C28H30ClF2N7O3/c29-20-13-18(17-3-8-36(9-4-17)16-23(30)31)12-19(14-20)27-35-34-24(41-27)15-25(39)37-10-5-21(6-11-37)38-22-2-1-7-32-26(22)33-28(38)40/h1-2,7,12-14,17,21,23H,3-6,8-11,15-16H2,(H,32,33,40) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 79.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415362
(CHEMBL601857)Show SMILES Cc1ncc(-c2cc(Cl)cc(c2)-c2nnc(CC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)o2)n1C Show InChI InChI=1S/C26H25ClN8O3/c1-15-29-14-21(33(15)2)16-10-17(12-18(27)11-16)25-32-31-22(38-25)13-23(36)34-8-5-19(6-9-34)35-20-4-3-7-28-24(20)30-26(35)37/h3-4,7,10-12,14,19H,5-6,8-9,13H2,1-2H3,(H,28,30,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415355
(CHEMBL600837)Show SMILES Clc1cc(cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1)N1CCOCC1 Show InChI InChI=1S/C25H26ClN7O4/c26-17-12-16(13-19(14-17)31-8-10-36-11-9-31)24-30-29-21(37-24)15-22(34)32-6-3-18(4-7-32)33-20-2-1-5-27-23(20)28-25(33)35/h1-2,5,12-14,18H,3-4,6-11,15H2,(H,27,28,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415343
(CHEMBL600010)Show SMILES Clc1ccc(Cl)c(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H18Cl2N6O3/c22-12-3-4-15(23)14(10-12)20-27-26-17(32-20)11-18(30)28-8-5-13(6-9-28)29-16-2-1-7-24-19(16)25-21(29)31/h1-4,7,10,13H,5-6,8-9,11H2,(H,24,25,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415347
(CHEMBL604955)Show SMILES Fc1cc(F)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H18F2N6O3/c22-13-8-12(9-14(23)10-13)20-27-26-17(32-20)11-18(30)28-6-3-15(4-7-28)29-16-2-1-5-24-19(16)25-21(29)31/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,24,25,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415365
(CHEMBL609757)Show SMILES Cc1ccc(cn1)-c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C27H24ClN7O3/c1-16-4-5-17(15-30-16)18-11-19(13-20(28)12-18)26-33-32-23(38-26)14-24(36)34-9-6-21(7-10-34)35-22-3-2-8-29-25(22)31-27(35)37/h2-5,8,11-13,15,21H,6-7,9-10,14H2,1H3,(H,29,31,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415342
(CHEMBL603098)Show SMILES Clc1cccc(-c2nnc(CC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)o2)c1Cl Show InChI InChI=1S/C21H18Cl2N6O3/c22-14-4-1-3-13(18(14)23)20-27-26-16(32-20)11-17(30)28-9-6-12(7-10-28)29-15-5-2-8-24-19(15)25-21(29)31/h1-5,8,12H,6-7,9-11H2,(H,24,25,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415357
(CHEMBL592406)Show SMILES O=C(Cc1nnc(o1)-c1cc(cc(c1)-c1ccccc1)N1CCOCC1)N1CCC(CC1)n1c2cccnc2[nH]c1=O Show InChI InChI=1S/C31H31N7O4/c39-28(37-11-8-24(9-12-37)38-26-7-4-10-32-29(26)33-31(38)40)20-27-34-35-30(42-27)23-17-22(21-5-2-1-3-6-21)18-25(19-23)36-13-15-41-16-14-36/h1-7,10,17-19,24H,8-9,11-16,20H2,(H,32,33,40) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415338
(CHEMBL604539)Show SMILES O=C(Cc1nnc(o1)-c1ccccc1)N1CCC(CC1)n1c2cccnc2[nH]c1=O Show InChI InChI=1S/C21H20N6O3/c28-18(13-17-24-25-20(30-17)14-5-2-1-3-6-14)26-11-8-15(9-12-26)27-16-7-4-10-22-19(16)23-21(27)29/h1-7,10,15H,8-9,11-13H2,(H,22,23,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415345
(CHEMBL602492)Show SMILES Clc1ccc(cc1Cl)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H18Cl2N6O3/c22-14-4-3-12(10-15(14)23)20-27-26-17(32-20)11-18(30)28-8-5-13(6-9-28)29-16-2-1-7-24-19(16)25-21(29)31/h1-4,7,10,13H,5-6,8-9,11H2,(H,24,25,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415340
(CHEMBL600620)Show SMILES Clc1cccc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H19ClN6O3/c22-14-4-1-3-13(11-14)20-26-25-17(31-20)12-18(29)27-9-6-15(7-10-27)28-16-5-2-8-23-19(16)24-21(28)30/h1-5,8,11,15H,6-7,9-10,12H2,(H,23,24,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415339
(CHEMBL601657)Show SMILES Clc1ccccc1-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H19ClN6O3/c22-15-5-2-1-4-14(15)20-26-25-17(31-20)12-18(29)27-10-7-13(8-11-27)28-16-6-3-9-23-19(16)24-21(28)30/h1-6,9,13H,7-8,10-12H2,(H,23,24,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415344
(CHEMBL600011)Show SMILES Clc1cccc(Cl)c1-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H18Cl2N6O3/c22-13-3-1-4-14(23)18(13)20-27-26-16(32-20)11-17(30)28-9-6-12(7-10-28)29-15-5-2-8-24-19(15)25-21(29)31/h1-5,8,12H,6-7,9-11H2,(H,24,25,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415341
(CHEMBL600820)Show SMILES Clc1ccc(cc1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H19ClN6O3/c22-14-5-3-13(4-6-14)20-26-25-17(31-20)12-18(29)27-10-7-15(8-11-27)28-16-2-1-9-23-19(16)24-21(28)30/h1-6,9,15H,7-8,10-12H2,(H,23,24,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50415337
(CHEMBL602075)Show SMILES COc1ccc(cc1CC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C26H26N4O3/c1-33-23-10-9-19(18-6-3-2-4-7-18)16-20(23)17-24(31)29-14-11-21(12-15-29)30-22-8-5-13-27-25(22)28-26(30)32/h2-10,13,16,21H,11-12,14-15,17H2,1H3,(H,27,28,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ... |
Bioorg Med Chem Lett 20: 1368-72 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50412955
(CHEMBL407706)Show SMILES COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)-c1ccc(C)o1)N1C[C@H](C)N[C@H](C)C1 |r| Show InChI InChI=1S/C24H29N3O4S/c1-16-14-27(15-17(2)25-16)20-8-12-24(30-4)22(13-20)26-32(28,29)21-9-6-19(7-10-21)23-11-5-18(3)31-23/h5-13,16-17,25-26H,14-15H2,1-4H3/t16-,17+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| <3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to 5HT1B receptor |
Bioorg Med Chem Lett 18: 2203-5 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.021 BindingDB Entry DOI: 10.7270/Q2KS6VBX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50478241
(CHEMBL256263)Show SMILES COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)-c1cccs1)N1C[C@H](C)N[C@H](C)C1 Show InChI InChI=1S/C23H27N3O3S2/c1-16-14-26(15-17(2)24-16)19-8-11-22(29-3)21(13-19)25-31(27,28)20-9-6-18(7-10-20)23-5-4-12-30-23/h4-13,16-17,24-25H,14-15H2,1-3H3/t16-,17+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| <3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to 5HT1B receptor |
Bioorg Med Chem Lett 18: 2203-5 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.021 BindingDB Entry DOI: 10.7270/Q2KS6VBX |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50412954
(CHEMBL251572 | SB-791016 | SB-791016A)Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)N[C@H](C)C1)S(=O)(=O)c1ccc(s1)-c1ccccn1 |r| Show InChI InChI=1S/C24H28N4O3S2/c1-16-14-27(15-17(2)26-16)21-13-20-18(12-22(21)31-3)9-11-28(20)33(29,30)24-8-7-23(32-24)19-6-4-5-10-25-19/h4-8,10,12-13,16-17,26H,9,11,14-15H2,1-3H3/t16-,17+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay |
Bioorg Med Chem Lett 19: 684-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.042 BindingDB Entry DOI: 10.7270/Q2VT1TBF |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50412955
(CHEMBL407706)Show SMILES COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)-c1ccc(C)o1)N1C[C@H](C)N[C@H](C)C1 |r| Show InChI InChI=1S/C24H29N3O4S/c1-16-14-27(15-17(2)25-16)20-8-12-24(30-4)22(13-20)26-32(28,29)21-9-6-19(7-10-21)23-11-5-18(3)31-23/h5-13,16-17,25-26H,14-15H2,1-4H3/t16-,17+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.794 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay |
Bioorg Med Chem Lett 19: 684-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.042 BindingDB Entry DOI: 10.7270/Q2VT1TBF |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50412956
(CHEMBL517081)Show SMILES NC1CCN(C1)C(=O)C1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H27N3O3S/c23-19-13-15-24(16-19)22(26)21-8-4-5-14-25(21)29(27,28)20-11-9-18(10-12-20)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,21H,4-5,8,13-16,23H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 31.6 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay |
Bioorg Med Chem Lett 19: 684-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.042 BindingDB Entry DOI: 10.7270/Q2VT1TBF |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50412957
(CHEMBL479864)Show SMILES N[C@H]1CCN(C1)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27N3O3S/c23-19-13-15-24(16-19)22(26)21-8-4-5-14-25(21)29(27,28)20-11-9-18(10-12-20)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,21H,4-5,8,13-16,23H2/t19-,21+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >5.01E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay |
Bioorg Med Chem Lett 19: 684-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.042 BindingDB Entry DOI: 10.7270/Q2VT1TBF |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50412958
(CHEMBL482194)Show SMILES N[C@@H]1CCN(C1)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27N3O3S/c23-19-13-15-24(16-19)22(26)21-8-4-5-14-25(21)29(27,28)20-11-9-18(10-12-20)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,21H,4-5,8,13-16,23H2/t19-,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >5.01E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay |
Bioorg Med Chem Lett 19: 684-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.042 BindingDB Entry DOI: 10.7270/Q2VT1TBF |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50412959
(CHEMBL481408)Show SMILES N[C@H]1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27N3O3S/c23-19-13-15-24(16-19)22(26)21-8-4-5-14-25(21)29(27,28)20-11-9-18(10-12-20)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,21H,4-5,8,13-16,23H2/t19-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 7.94 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay |
Bioorg Med Chem Lett 19: 684-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.042 BindingDB Entry DOI: 10.7270/Q2VT1TBF |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50412960
(CHEMBL481601)Show SMILES N[C@@H]1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27N3O3S/c23-19-13-15-24(16-19)22(26)21-8-4-5-14-25(21)29(27,28)20-11-9-18(10-12-20)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,21H,4-5,8,13-16,23H2/t19-,21+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 15.8 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay |
Bioorg Med Chem Lett 19: 684-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.042 BindingDB Entry DOI: 10.7270/Q2VT1TBF |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50412961
(CHEMBL521264)Show SMILES N[C@@H]1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C16H22BrN3O3S/c17-12-4-6-14(7-5-12)24(22,23)20-9-2-1-3-15(20)16(21)19-10-8-13(18)11-19/h4-7,13,15H,1-3,8-11,18H2/t13-,15+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 398 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay |
Bioorg Med Chem Lett 19: 684-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.042 BindingDB Entry DOI: 10.7270/Q2VT1TBF |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50412962
(CHEMBL481602)Show SMILES N[C@@H]1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccco1 |r| Show InChI InChI=1S/C20H25N3O4S/c21-16-10-12-22(14-16)20(24)18-4-1-2-11-23(18)28(25,26)17-8-6-15(7-9-17)19-5-3-13-27-19/h3,5-9,13,16,18H,1-2,4,10-12,14,21H2/t16-,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 31.6 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay |
Bioorg Med Chem Lett 19: 684-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.042 BindingDB Entry DOI: 10.7270/Q2VT1TBF |
More data for this Ligand-Target Pair | |