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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/Receptor activity-modifying protein 1' and Ligand = 'BDBM50184071'   
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/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184071
PNG
((R)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(2-...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C31H29F3N6O3/c32-31(33,34)19-40-25-13-7-5-11-23(25)26(20-8-2-1-3-9-20)36-27(28(40)41)37-29(42)38-16-14-22(15-17-38)39-18-21-10-4-6-12-24(21)35-30(39)43/h1-13,22,27H,14-19H2,(H,35,43)(H,37,42)/t27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
44n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184071
PNG
((R)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(2-...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C31H29F3N6O3/c32-31(33,34)19-40-25-13-7-5-11-23(25)26(20-8-2-1-3-9-20)36-27(28(40)41)37-29(42)38-16-14-22(15-17-38)39-18-21-10-4-6-12-24(21)35-30(39)43/h1-13,22,27H,14-19H2,(H,35,43)(H,37,42)/t27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CLR/RAMP1 receptor expressed in E10 cells measured as inhibition of CGRP-mediated cAMP production


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair