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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 = 'BDBM50150456'   
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))
BDBM50150456
PNG
(CHEMBL3770964)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCN(CC2)c2ccc(Cl)cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C32H41Cl2N7O2/c1-22-17-23(18-24-21-35-37-30(22)24)19-28(31(42)40-11-7-26(8-12-40)38-9-3-2-4-10-38)36-32(43)41-15-13-39(14-16-41)29-6-5-25(33)20-27(29)34/h5-6,17-18,20-21,26,28H,2-4,7-16,19H2,1H3,(H,35,37)(H,36,43)/t28-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30n/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