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BDBM50302888 CHEMBL570626::N-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)-4-(3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)piperidine-1-carboxamide

SMILES: Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)c3cc(n[nH]c3=O)-c3ccccc3)C(=O)N(CC(F)(F)F)C2)c1F

InChI Key: InChIKey=RPBNPWUNODXFRC-HYBUGGRVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50302888   
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))		BDBM50302888
PNG
(CHEMBL570626 | N-((3R,6S)-6-(2,3-difluorophenyl)-2...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)c3cc(n[nH]c3=O)-c3ccccc3)C(=O)N(CC(F)(F)F)C2)c1F |r|
Show InChI InChI=1S/C30H30F5N5O3/c31-23-8-4-7-21(26(23)32)20-9-10-24(28(42)40(16-20)17-30(33,34)35)36-29(43)39-13-11-18(12-14-39)22-15-25(37-38-27(22)41)19-5-2-1-3-6-19/h1-8,15,18,20,24H,9-14,16-17H2,(H,36,43)(H,38,41)/t20-,24-/m1/s1
PDB

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Article
PubMed
 240n/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