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BDBM50150464 CHEMBL3771314

SMILES: Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12

InChI Key: InChIKey=XIIDPSKSRFKLGE-UUWRZZSWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150464   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50150464
PNG
(CHEMBL3771314)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C37H45ClN6O2/c1-25-19-26(20-30-24-39-41-35(25)30)21-34(36(45)43-17-11-31(12-18-43)42-13-5-2-6-14-42)40-37(46)44-15-9-27(10-16-44)32-22-28-7-3-4-8-29(28)23-33(32)38/h3-4,7-8,19-20,22-24,27,31,34H,2,5-6,9-18,21H2,1H3,(H,39,41)(H,40,46)/t34-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.230n/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