Reaction Details Report a problem with these data
Target
Substance-K receptor
Ligand
BDBM50259674
Substrate
n/a
Meas. Tech.
ChEMBL_528445 (CHEMBL977830)
EC50
78.1±n/a nM
Citation
 Gafner, S; Dietz, BM; McPhail, KL; Scott, IM; Glinski, JA; Russell, FE; McCollom, MM; Budzinski, JW; Foster, BC; Bergeron, C; Rhyu, MR; Bolton, JL Alkaloids from Eschscholzia californica and their capacity to inhibit binding of [3H]8-Hydroxy-2-(di-N-propylamino)tetralin to 5-HT1A receptors in Vitro. J Nat Prod 69:432-5 (2006) [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:
BDBM50259674
Synonyms:
(S)-3-amino-4-((S)-1-((R)-1-((S)-1-((R)-1-((R)-1-((S)-1,6-diamino-1-oxohexan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-ylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-ylamino)-4-oxobutanoic acid | CHEMBL507824
Type:
Small organic molecule
Emp. Form.:
C57H68N12O10
Mol. Mass.:
1081.2242
SMILES:
CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: