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BDBM50302887 CHEMBL583547::N-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)-4-(2-oxo-1,2-dihydropyridin-3-yl)piperidine-1-carboxamide

SMILES: Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)c3ccc[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F

InChI Key: InChIKey=SRNUFLPARKRBGV-OXQOHEQNSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50302887   
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))		BDBM50302887
PNG
(CHEMBL583547 | N-((3R,6S)-6-(2,3-difluorophenyl)-2...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)c3ccc[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F |r|
Show InChI InChI=1S/C25H27F5N4O3/c26-19-5-1-3-17(21(19)27)16-6-7-20(23(36)34(13-16)14-25(28,29)30)32-24(37)33-11-8-15(9-12-33)18-4-2-10-31-22(18)35/h1-5,10,15-16,20H,6-9,11-14H2,(H,31,35)(H,32,37)/t16-,20-/m1/s1
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Article
PubMed
 100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]human CGRP from human CLR expressed in HEK 293 cells coexpressing human RAMP1 after 3 hrs by scintillation counting

Bioorg Med Chem Lett 19: 6368-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.066
BindingDB Entry DOI: 10.7270/Q2PC32FD
More data for this
Ligand-Target Pair