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BDBM50145243 CHEMBL83830::N,N-dimethyl-N'-({4-[(19-Fluoro-2-methyl-4,5-dihydro-3,6-dithia-1-aza-benzo[e]azulene)amino]cyclohexyl}methyl)-sulfamide

SMILES: CN(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccc(F)cc-23)s1

InChI Key: InChIKey=VWDHLMLSGMPARG-CTYIDZIISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50145243   
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
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))		BDBM50145243
PNG
(CHEMBL83830 | N,N-dimethyl-N'-({4-[(19-Fluoro-2-me...)
Show SMILES CN(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccc(F)cc-23)s1 |wU:11.14,wD:8.7,(18.84,-5.25,;17.4,-4.72,;17.13,-3.19,;16.22,-5.71,;15.23,-4.53,;17.2,-6.89,;15.04,-6.7,;13.59,-6.17,;12.4,-7.17,;10.95,-6.64,;9.77,-7.62,;10.03,-9.14,;11.48,-9.67,;12.67,-8.67,;8.84,-10.14,;7.4,-9.61,;6.03,-10.33,;4.93,-9.24,;5.61,-7.85,;4.95,-6.47,;3.45,-6.1,;2.23,-7.03,;2.23,-8.58,;.8,-9.13,;.55,-10.64,;1.74,-11.62,;1.51,-13.15,;3.17,-11.06,;3.4,-9.56,;7.13,-8.09,)|
Show InChI InChI=1S/C20H27FN4O2S3/c1-25(2)30(26,27)22-12-13-3-6-15(7-4-13)23-20-24-19-16-11-14(21)5-8-17(16)28-10-9-18(19)29-20/h5,8,11,13,15,22H,3-4,6-7,9-10,12H2,1-2H3,(H,23,24)/t13-,15-
KEGG

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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair