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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide (CGRP alpha)' and Ligand = 'BDBM50150454'   
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 (CGRP alpha)


(Homo sapiens (Human))
BDBM50150454
PNG
(CHEMBL3770165)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCN(CC2)c2ccc(cc2Cl)S(C)(=O)=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C33H44ClN7O4S/c1-23-18-24(19-25-22-35-37-31(23)25)20-29(32(42)40-12-8-26(9-13-40)38-10-4-3-5-11-38)36-33(43)41-16-14-39(15-17-41)30-7-6-27(21-28(30)34)46(2,44)45/h6-7,18-19,21-22,26,29H,3-5,8-17,20H2,1-2H3,(H,35,37)(H,36,43)/t29-/m1/s1
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Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from alpha CGRP in human SK-N-MC cells after 2 hrs by scintillation counter


Bioorg Med Chem Lett 26: 1229-32 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.026
BindingDB Entry DOI: 10.7270/Q2NG4SH3
More data for this
Ligand-Target Pair