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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM50441041'   
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))
BDBM50441041
PNG
(CHEMBL2430163 | US9695176, 3)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2ncc3CNCCn23)cc2cn[nH]c12
Show InChI InChI=1S/C31H33N7O3/c1-19-12-20(13-23-16-34-36-28(19)23)14-27(29-33-18-24-17-32-8-11-38(24)29)41-31(40)37-9-6-21(7-10-37)25-15-22-4-2-3-5-26(22)35-30(25)39/h2-5,12-13,15-16,18,21,27,32H,6-11,14,17H2,1H3,(H,34,36)(H,35,39)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Bioorg Med Chem Lett 23: 5684-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.031
BindingDB Entry DOI: 10.7270/Q2BZ67H8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50441041
PNG
(CHEMBL2430163 | US9695176, 3)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2ncc3CNCCn23)cc2cn[nH]c12
Show InChI InChI=1S/C31H33N7O3/c1-19-12-20(13-23-16-34-36-28(19)23)14-27(29-33-18-24-17-32-8-11-38(24)29)41-31(40)37-9-6-21(7-10-37)25-15-22-4-2-3-5-26(22)35-30(25)39/h2-5,12-13,15-16,18,21,27,32H,6-11,14,17H2,1H3,(H,34,36)(H,35,39)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.95n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
The compounds of invention were solubilized and carried through serial dilutions using 100% DMSO. Aliquots from the compound serial dilutions were fu...


US Patent US9695176 (2017)


BindingDB Entry DOI: 10.7270/Q257195X
More data for this
Ligand-Target Pair