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BDBM50380828 CHEMBL2018499

SMILES: O=C(C[C@H](Nc1ccc2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O

InChI Key: InChIKey=SEERNRBNLSYARJ-GUZXWJHPNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50380828   
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))
BDBM50380828
PNG
(CHEMBL2018499)
Show SMILES O=C(C[C@H](Nc1ccc2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1/C34H44N8O3/c43-32(40-16-12-28(13-17-40)42-23-24-6-2-3-7-29(24)37-34(42)45)21-31(36-26-8-9-30-25(20-26)22-35-38-30)33(44)41-18-10-27(11-19-41)39-14-4-1-5-15-39/h2-3,6-9,20,22,27-28,31,36H,1,4-5,10-19,21,23H2,(H,35,38)(H,37,45)/t31-/s2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/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))
BDBM50380828
PNG
(CHEMBL2018499)
Show SMILES O=C(C[C@H](Nc1ccc2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1/C34H44N8O3/c43-32(40-16-12-28(13-17-40)42-23-24-6-2-3-7-29(24)37-34(42)45)21-31(36-26-8-9-30-25(20-26)22-35-38-30)33(44)41-18-10-27(11-19-41)39-14-4-1-5-15-39/h2-3,6-9,20,22,27-28,31,36H,1,4-5,10-19,21,23H2,(H,35,38)(H,37,45)/t31-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/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