Reaction Details Report a problem with these data
Target
Substance-K receptor
Ligand
BDBM50030214
Substrate
n/a
Meas. Tech.
ChEMBL_143189 (CHEMBL749851)
EC50
>50000±n/a nM
Citation
 Grdadolnik, SG; Mierke, DF; Byk, G; Zeltser, I; Gilon, C; Kessler, H Comparison of the conformation of active and nonactive backbone cyclic analogs of substance P as a tool to elucidate features of the bioactive conformation: NMR and molecular dynamics in DMSO and water. J Med Chem 37:2145-52 (1994) [PubMed]  Article 
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:
BDBM50030214
Synonyms:
(S)-2-{2-[(6R,9S,12R)-6,9-Dibenzyl-12-(3-guanidino-propyl)-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16hexaaza-cycloicos-4-yl]-acetylamino}-4-methyl-pentanoic acid ((S)-1-carbamoyl-3-methylsulfanyl-propyl)-amide | CHEMBL304752
Type:
Small organic molecule
Emp. Form.:
C45H66N12O9S
Mol. Mass.:
951.146
SMILES:
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Structure:
Search PDB for entries with ligand similarity: