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Target
Substance-K receptor
Ligand
BDBM50079412
Substrate
n/a
Meas. Tech.
ChEMBL_208853 (CHEMBL816688)
IC50
3.6±n/a nM
Citation
 Boden, P; Eden, JM; Hodgson, J; Horwell, DC; Hughes, J; McKnight, AT; Lewthwaite, RA; Pritchard, MC; Raphy, J; Meecham, K; Ratcliffe, GS; Suman-Chauhan, N; Woodruff, GN Use of a dipeptide chemical library in the development of non-peptide tachykinin NK3 receptor selective antagonists. J Med Chem 39:1664-75 (1996) [PubMed]  Article 
Target
Name:
Substance-K receptor
Synonyms:
NK2R_MESAU | Neurokinin 2 receptor | Neurokinin NK2 | TAC2R | TACR2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
43436.75
Organism:
HAMSTER
Description:
P51144
Residue:
384
Sequence:
MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP
  
Inhibitor
Name:
BDBM50079412
Synonyms:
(NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 | Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 | Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2(Neurokinin B) | CHEMBL437797 | NKB | Neurokinin B
Type:
Small organic molecule
Emp. Form.:
C55H79N13O14S2
Mol. Mass.:
1210.424
SMILES:
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Structure:
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