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SMILES: [O-][N+](=O)c1cc(Cl)ccc1N[C@@H](CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCC(CC1)N1CCCCC1

InChI Key: InChIKey=GPCYKDRGWZBQPR-LJAQVGFWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50380824   
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))
BDBM50380824
PNG
(CHEMBL2018494)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1N[C@@H](CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCC(CC1)N1CCCCC1 |r|
Show InChI InChI=1S/C33H42ClN7O5/c34-24-8-9-28(30(20-24)41(45)46)35-29(32(43)39-18-10-25(11-19-39)37-14-4-1-5-15-37)21-31(42)38-16-12-26(13-17-38)40-22-23-6-2-3-7-27(23)36-33(40)44/h2-3,6-9,20,25-26,29,35H,1,4-5,10-19,21-22H2,(H,36,44)/t29-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125]CGRP from human CGRP receptor expressed in human SK-N-MC cell membrane after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 2912-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.066
BindingDB Entry DOI: 10.7270/Q2SN0B0F
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50380824
PNG
(CHEMBL2018494)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1N[C@@H](CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCC(CC1)N1CCCCC1 |r|
Show InChI InChI=1S/C33H42ClN7O5/c34-24-8-9-28(30(20-24)41(45)46)35-29(32(43)39-18-10-25(11-19-39)37-14-4-1-5-15-37)21-31(42)38-16-12-26(13-17-38)40-22-23-6-2-3-7-27(23)36-33(40)44/h2-3,6-9,20,25-26,29,35H,1,4-5,10-19,21-22H2,(H,36,44)/t29-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

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 22: 2912-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.066
BindingDB Entry DOI: 10.7270/Q2SN0B0F
More data for this
Ligand-Target Pair