Reaction Details Report a problem with these data
Target
Substance-K receptor
Ligand
BDBM50116726
Substrate
n/a
Meas. Tech.
ChEBML_209036
Ki
0.500000±n/a nM
Citation
Reichard, GA; Grice, CA; Shih, NY; Spitler, J; Majmundar, S; Wang, SD; Paliwal, S; Anthes, JC; Piwinski, JJ Preparation of oxime dual NK(1)/NK(2) antagonists with reduced NK(3) affinity. Bioorg Med Chem Lett 12:2355-8 (2002) [PubMed] Article
More Info.:
Target
Name:
Substance-K receptor
Synonyms:
NK-2 receptor | NK-2R | NK2R | NK2R_HUMAN | NKNAR | Neurokinin 2 receptor | Neurokinin A receptor | Neurokinin NK2 | Neurokinin-2 (NK-2) | Neuromedin-2 receptor (NK-2R) | SKR | TAC2R | TACR2 | Tachykinin receptor 2 | Tachykinin receptor 2 (NK2) | hnk-3
Type:
Protein
Mol. Mass.:
44455.78
Organism:
Homo sapiens (Human)
Description:
P21452
Residue:
398
Sequence:
MGTCDIVTEANISSGPESNTTGITAFSMPSWQLALWATAYLALVLVAVTGNAIVIWIILAHRRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAVIAGIWLVALALASPQCFYSTVTMDQGATKCVVAWPEDSGGKTLLLYHLVVIALIYFLPLAVMFVAYSVIGLTLWRRAVPGHQAHGANLRHLQAMKKFVKTMVLVVLTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTKEDKLELTPTTSLSTRVNRCHTKETLFMAGDTAPSEATSGEAGRPQDGSGLWFGYGLLAPTKTHVEI
Inhibitor
Name:
BDBM50116726
Synonyms:
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)-methoxyimino]-5-[4-(2-oxo-3-pyridin-2-yl-tetrahydro-pyrimidin-1-yl)-piperidin-1-yl]-pentyl}-N-methyl-benzamide | CHEMBL76965
Type:
Small organic molecule
Emp. Form.:
C34H38Cl4N6O3
Mol. Mass.:
720.516
SMILES:
CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C1=O)c1ccccn1)c1ccc(Cl)c(Cl)c1