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BDBM50150463 CHEMBL3771371

SMILES: Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3cc2C#N)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12

InChI Key: InChIKey=SXTOEKCKDHJYEH-PGUFJCEWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150463   
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))
BDBM50150463
PNG
(CHEMBL3771371)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3cc2C#N)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C38H45N7O2/c1-26-19-27(20-32-25-40-42-36(26)32)21-35(37(46)44-17-11-33(12-18-44)43-13-5-2-6-14-43)41-38(47)45-15-9-28(10-16-45)34-23-30-8-4-3-7-29(30)22-31(34)24-39/h3-4,7-8,19-20,22-23,25,28,33,35H,2,5-6,9-18,21H2,1H3,(H,40,42)(H,41,47)/t35-/m1/s1
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PC sid
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Similars

Article
PubMed
n/an/a 0.110n/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