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BDBM50387505 CHEMBL2059805

SMILES: OC(=O)CC[C@@H](NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCC(CC1)N1CCCCC1

InChI Key: InChIKey=YYNMAEDBMYKRBX-HSZRJFAPSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50387505   
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
CGRP type 1 receptor


(Homo sapiens (Human))		BDBM50387505
PNG
(CHEMBL2059805)
Show SMILES OC(=O)CC[C@@H](NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCC(CC1)N1CCCCC1 |r|
Show InChI InChI=1S/C28H40N6O5/c35-25(36)9-8-23(26(37)32-16-10-20(11-17-32)31-14-4-1-5-15-31)30-27(38)33-18-12-21(13-19-33)34-24-7-3-2-6-22(24)29-28(34)39/h2-3,6-7,20-21,23H,1,4-5,8-19H2,(H,29,39)(H,30,38)(H,35,36)/t23-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


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

Bioorg Med Chem Lett 22: 4723-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.074
BindingDB Entry DOI: 10.7270/Q2SN0B1W
More data for this
Ligand-Target Pair