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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 = 'BDBM50441045'   
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))		BDBM50441045
PNG
(CHEMBL2430167)
Show SMILES Cc1cc(Cn2ccnc2C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)cc(Cl)n1
Show InChI InChI=1S/C34H36ClN9O2/c1-21-13-23(15-26-18-37-41-31(21)26)16-29(32-36-9-12-43(32)19-24-14-22(2)38-30(35)17-24)40-33(45)42-10-7-27(8-11-42)44-20-25-5-3-4-6-28(25)39-34(44)46/h3-6,9,12-15,17-18,27,29H,7-8,10-11,16,19-20H2,1-2H3,(H,37,41)(H,39,46)(H,40,45)
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.0780n/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