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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 = 'BDBM50279775'   
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))
BDBM50279775
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

PubMed
0.600n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Tachykinin receptor 2 expressed in MEL cells


Bioorg Med Chem Lett 11: 2769-73 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1M4W
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50279775
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.640n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair