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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM50441032'   
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 type 1 receptor


(Homo sapiens (Human))		BDBM50441032
PNG
(CHEMBL2430177)
Show SMILES Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2nccn2Cc2ccc(cc2)C(C)(C)C)cc2cn[nH]c12
Show InChI InChI=1S/C38H44N8O2/c1-25-19-27(20-29-22-40-43-34(25)29)21-33(35-39-15-18-45(35)23-26-9-11-30(12-10-26)38(2,3)4)42-36(47)44-16-13-31(14-17-44)46-24-28-7-5-6-8-32(28)41-37(46)48/h5-12,15,18-20,22,31,33H,13-14,16-17,21,23-24H2,1-4H3,(H,40,43)(H,41,48)(H,42,47)
PDB

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PC sid
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Similars
Article
PubMed
n/an/a 0.190n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production

Bioorg Med Chem Lett 23: 5684-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.031
BindingDB Entry DOI: 10.7270/Q2BZ67H8
More data for this
Ligand-Target Pair