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BDBM50356284 CHEMBL1910938

SMILES: Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1cccnc1

InChI Key: InChIKey=ROCORLAHLBZGIB-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50356284   
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))		BDBM50356284
PNG
(CHEMBL1910938)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1cccnc1
Show InChI InChI=1S/C19H19N5O4S/c25-17-15-14(6-4-8-21-15)18(24-9-1-2-10-29(24,27)28)23-16(17)19(26)22-12-13-5-3-7-20-11-13/h3-8,11,25H,1-2,9-10,12H2,(H,22,26)
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Article
PubMed
 1.40E+4n/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