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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 = 'BDBM50387494'   
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))		BDBM50387494
PNG
(CHEMBL2059793)
Show SMILES COc1ccc(C[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc1 |r|
Show InChI InChI=1S/C33H44N6O4/c1-43-27-11-9-24(10-12-27)23-29(31(40)37-19-13-25(14-20-37)36-17-5-2-6-18-36)35-32(41)38-21-15-26(16-22-38)39-30-8-4-3-7-28(30)34-33(39)42/h3-4,7-12,25-26,29H,2,5-6,13-23H2,1H3,(H,34,42)(H,35,41)/t29-/m1/s1
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Similars
Article
PubMed
 1.40E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs

Bioorg Med Chem Lett 22: 4723-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.074
BindingDB Entry DOI: 10.7270/Q2SN0B1W
More data for this
Ligand-Target Pair