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BDBM50387491 CHEMBL2059789

SMILES: O=C(N[C@H](CCc1ccccc1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

InChI Key: InChIKey=GKJYAPGFSZTXDD-GDLZYMKVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50387491   
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))		BDBM50387491
PNG
(CHEMBL2059789)
Show SMILES O=C(N[C@H](CCc1ccccc1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O |r|
Show InChI InChI=1S/C33H44N6O3/c40-31(37-21-15-26(16-22-37)36-19-7-2-8-20-36)29(14-13-25-9-3-1-4-10-25)35-32(41)38-23-17-27(18-24-38)39-30-12-6-5-11-28(30)34-33(39)42/h1,3-6,9-12,26-27,29H,2,7-8,13-24H2,(H,34,42)(H,35,41)/t29-/m1/s1
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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