BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 591.5
BDBM50192558

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM50192558
PNG
((R)-4-(2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-3(4...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3cccnc3NC2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C30H28F3N7O3/c31-30(32,33)18-40-23-11-5-4-10-22(23)24(19-7-2-1-3-8-19)35-26(27(40)41)37-28(42)38-15-12-21(13-16-38)39-17-20-9-6-14-34-25(20)36-29(39)43/h1-11,14,21,26H,12-13,15-18H2,(H,37,42)(H,34,36,43)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
295n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5052-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50192558
PNG
((R)-4-(2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-3(4...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3cccnc3NC2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C30H28F3N7O3/c31-30(32,33)18-40-23-11-5-4-10-22(23)24(19-7-2-1-3-8-19)35-26(27(40)41)37-28(42)38-15-12-21(13-16-38)39-17-20-9-6-14-34-25(20)36-29(39)43/h1-11,14,21,26H,12-13,15-18H2,(H,37,42)(H,34,36,43)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 616n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production


Bioorg Med Chem Lett 16: 5052-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX
More data for this
Ligand-Target Pair