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BDBM50356291 CHEMBL1910945

SMILES: Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)OCc1cc(F)cc(F)c1

InChI Key: InChIKey=GIMNCTGYDFLCOU-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50356291   
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 (CGRP alpha)


(Homo sapiens (Human))		BDBM50356291
PNG
(CHEMBL1910945)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)OCc1cc(F)cc(F)c1
Show InChI InChI=1S/C20H17F2N3O5S/c21-13-8-12(9-14(22)10-13)11-30-20(27)17-18(26)16-15(4-3-5-23-16)19(24-17)25-6-1-2-7-31(25,28)29/h3-5,8-10,26H,1-2,6-7,11H2
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay

Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair