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BDBM50150466 CHEMBL3770433

SMILES: Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cccc3ccccc23)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12

InChI Key: InChIKey=PGASJCMUERINAX-UUWRZZSWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150466   
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))		BDBM50150466
PNG
(CHEMBL3770433)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cccc3ccccc23)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C37H46N6O2/c1-26-22-27(23-30-25-38-40-35(26)30)24-34(36(44)42-20-14-31(15-21-42)41-16-5-2-6-17-41)39-37(45)43-18-12-29(13-19-43)33-11-7-9-28-8-3-4-10-32(28)33/h3-4,7-11,22-23,25,29,31,34H,2,5-6,12-21,24H2,1H3,(H,38,40)(H,39,45)/t34-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2NG4SH3
More data for this
Ligand-Target Pair