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SMILES: Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CCNC4=O)CC3)C(=O)N(CC(F)(F)F)C2)c1F

InChI Key: InChIKey=PNWFXOYGKIDOKT-RHSMWYFYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50302891   
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))		BDBM50302891
PNG
(CHEMBL571185 | N-((3R,6S)-6-(2,3-difluorophenyl)-2...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CCNC4=O)CC3)C(=O)N(CC(F)(F)F)C2)c1F |r|
Show InChI InChI=1S/C23H27F5N4O3/c24-16-3-1-2-15(18(16)25)14-4-5-17(19(33)32(12-14)13-23(26,27)28)30-21(35)31-10-7-22(8-11-31)6-9-29-20(22)34/h1-3,14,17H,4-13H2,(H,29,34)(H,30,35)/t14-,17-/m1/s1
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Similars
Article
PubMed
 140n/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