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BDBM50441033 CHEMBL2430178

SMILES: Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2nccn2Cc2cc(F)cc(F)c2)cc2cn[nH]c12

InChI Key: InChIKey=IKZZTJAJWRXLNM-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50441033   
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 type 1 receptor


(Homo sapiens (Human))
BDBM50441033
PNG
(CHEMBL2430178)
Show SMILES Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2nccn2Cc2cc(F)cc(F)c2)cc2cn[nH]c12
Show InChI InChI=1/C34H34F2N8O2/c1-21-12-22(13-25-18-38-41-31(21)25)16-30(32-37-8-11-43(32)19-23-14-26(35)17-27(36)15-23)40-33(45)42-9-6-28(7-10-42)44-20-24-4-2-3-5-29(24)39-34(44)46/h2-5,8,11-15,17-18,28,30H,6-7,9-10,16,19-20H2,1H3,(H,38,41)(H,39,46)(H,40,45)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.390n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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