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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM50373771'   
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))
BDBM50373771
PNG
(CHEMBL255967)
Show SMILES FC(F)(F)Cn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1ccsc1
Show InChI InChI=1S/C23H21F3N6O3S/c24-23(25,26)13-31-11-15(14-5-9-36-12-14)10-17(20(31)33)28-21(34)30-7-3-16(4-8-30)32-18-2-1-6-27-19(18)29-22(32)35/h1-2,5-6,9-12,16H,3-4,7-8,13H2,(H,28,34)(H,27,29,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
105n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373771
PNG
(CHEMBL255967)
Show SMILES FC(F)(F)Cn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1ccsc1
Show InChI InChI=1S/C23H21F3N6O3S/c24-23(25,26)13-31-11-15(14-5-9-36-12-14)10-17(20(31)33)28-21(34)30-7-3-16(4-8-30)32-18-2-1-6-27-19(18)29-22(32)35/h1-2,5-6,9-12,16H,3-4,7-8,13H2,(H,28,34)(H,27,29,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 345n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CL receptor /RAMP1 assessed as inhibition of cAMP accumulation by cell based assay


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair