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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 = 'BDBM50382785'   
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))		BDBM50382785
PNG
(CHEMBL2022607)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2c(Br)n[nH]c12
Show InChI InChI=1S/C29H29BrN6O3/c1-18-14-19(15-22-26(18)33-34-27(22)30)16-25(24-8-4-5-11-31-24)39-29(38)35-12-9-21(10-13-35)36-17-20-6-2-3-7-23(20)32-28(36)37/h2-8,11,14-15,21,25H,9-10,12-13,16-17H2,1H3,(H,32,37)(H,33,34)
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.330n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [I125]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs by gamma or scintillation counting

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair