new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM50342617'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342617
PNG
(CHEMBL1770562 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES Cc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O |r|
Show InChI InChI=1S/C27H29F2N7O2/c1-16-14-31-25-21(8-7-17(15-35(16)25)19-4-2-5-20(28)23(19)29)32-26(37)34-12-9-18(10-13-34)36-22-6-3-11-30-24(22)33-27(36)38/h2-6,11,14,17-18,21H,7-10,12-13,15H2,1H3,(H,32,37)(H,30,33,38)/t17-,21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342617
PNG
(CHEMBL1770562 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES Cc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O |r|
Show InChI InChI=1S/C27H29F2N7O2/c1-16-14-31-25-21(8-7-17(15-35(16)25)19-4-2-5-20(28)23(19)29)32-26(37)34-12-9-18(10-13-34)36-22-6-3-11-30-24(22)33-27(36)38/h2-6,11,14,17-18,21H,7-10,12-13,15H2,1H3,(H,32,37)(H,30,33,38)/t17-,21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assay


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342617
PNG
(CHEMBL1770562 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES Cc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O |r|
Show InChI InChI=1S/C27H29F2N7O2/c1-16-14-31-25-21(8-7-17(15-35(16)25)19-4-2-5-20(28)23(19)29)32-26(37)34-12-9-18(10-13-34)36-22-6-3-11-30-24(22)33-27(36)38/h2-6,11,14,17-18,21H,7-10,12-13,15H2,1H3,(H,32,37)(H,30,33,38)/t17-,21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assay in presence of 50% human serum


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair