BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 664.8
BDBM50447330

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))
BDBM50447330
PNG
(CHEMBL3114492)
Show SMILES CN1CCN(CC1)c1ccc(F)cc1C1SC(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C
Show InChI InChI=1S/C36H49FN6O3S/c1-36(2,3)14-18-43-33(45)31(47-34(43)28-23-26(37)9-10-30(28)40-21-19-39(4)20-22-40)24-32(44)41-15-12-27(13-16-41)42-17-11-25-7-5-6-8-29(25)38-35(42)46/h5-10,23,27,31,34H,11-22,24H2,1-4H3,(H,38,46)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...


Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50447330
PNG
(CHEMBL3114492)
Show SMILES CN1CCN(CC1)c1ccc(F)cc1C1SC(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C
Show InChI InChI=1S/C36H49FN6O3S/c1-36(2,3)14-18-43-33(45)31(47-34(43)28-23-26(37)9-10-30(28)40-21-19-39(4)20-22-40)24-32(44)41-15-12-27(13-16-41)42-17-11-25-7-5-6-8-29(25)38-35(42)46/h5-10,23,27,31,34H,11-22,24H2,1-4H3,(H,38,46)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair