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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM357793'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Substance-K receptor


(Homo sapiens (Human))		BDBM357793
PNG
((4-chloro-3- fluorophenyl)(3-(3-methyl- 1,2,4-thia...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C15H12ClFN6OS/c1-8-18-14(25-21-8)13-20-19-12-7-22(4-5-23(12)13)15(24)9-2-3-10(16)11(17)6-9/h2-3,6H,4-5,7H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>3.00E+4n/an/an/an/an/an/an/an/a



OGEDA SA

US Patent


Assay Description
The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...

US Patent US10214533 (2019)


BindingDB Entry DOI: 10.7270/Q21J9D35
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM357793
PNG
((4-chloro-3- fluorophenyl)(3-(3-methyl- 1,2,4-thia...)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C15H12ClFN6OS/c1-8-18-14(25-21-8)13-20-19-12-7-22(4-5-23(12)13)15(24)9-2-3-10(16)11(17)6-9/h2-3,6H,4-5,7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>3.00E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
NK-2/NK-3: The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 recep...

J Med Chem 52: 1935-42 (2009)


BindingDB Entry DOI: 10.7270/Q2N58PQZ
More data for this
Ligand-Target Pair