Reaction Details Report a problem with these data
Target
Neuromedin-K receptor
Ligand
BDBM50432245
Substrate
n/a
Meas. Tech.
ChEMBL_950965 (CHEMBL2350291)
IC50
2.5±n/a nM
Citation
 Misu, R; Noguchi, T; Ohno, H; Oishi, S; Fujii, N Structure-activity relationship study of tachykinin peptides for the development of novel neurokinin-3 receptor selective agonists. Bioorg Med Chem 21:2413-7 (2013) [PubMed]  Article 
Target
Name:
Neuromedin-K receptor
Synonyms:
NK-3 receptor | NK-3R | NK3R | NK3R_HUMAN | NKR | Neurokinin 3 receptor | Neurokinin B receptor | Neurokinin-3 (NK-3) | Neuromedin-3 receptor (NK-3R) | Neuromedin-3 receptor (NK3) | Neuromedin-K receptor | Neuromedin-K receptor (NK-3 receptor) | Neuromedin-K receptor (NK3) | Neuromedin-K receptor(NK3R) | TAC3R | TACR3 | Tachykinin receptor 3 | Tachykinin receptor 3 (NK3)
Type:
Enzyme
Mol. Mass.:
52221.96
Organism:
Homo sapiens (Human)
Description:
P29371
Residue:
465
Sequence:
MATLPAAETWIDGGGGVGADAVNLTASLAAGAATGAVETGWLQLLDQAGNLSSSPSALGLPVASPAPSQPWANLTNQFVQPSWRIALWSLAYGVVVAVAVLGNLIVIWIILAHKRMRTVTNYFLVNLAFSDASMAAFNTLVNFIYALHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATKIVIGSIWILAFLLAFPQCLYSKTKVMPGRTLCFVQWPEGPKQHFTYHIIVIILVYCFPLLIMGITYTIVGITLWGGEIPGDTCDKYHEQLKAKRKVVKMMIIVVMTFAICWLPYHIYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIKVSSYDELELKTTRFHPNRQSSMYTVTRMESMTVVFDPNDADTTRSSRKKRATPRDPSFNGCSRRNSKSASATSSFISSPYTSVDEYS
  
Inhibitor
Name:
BDBM50432245
Synonyms:
CHEMBL2347511
Type:
Small organic molecule
Emp. Form.:
C57H84N16O14S2
Mol. Mass.:
1281.506
SMILES:
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)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(N)=O |r,wU:80.83,62.71,43.52,20.28,8.12,wD:72.79,54.60,32.41,4.4,(45.8,-105.89,;44.44,-105.1,;44.44,-103.58,;43.09,-102.79,;43.09,-101.27,;41.77,-100.51,;40.41,-101.29,;40.41,-102.81,;39.1,-100.53,;39.1,-98.97,;40.41,-98.21,;40.41,-96.64,;41.73,-98.97,;37.75,-101.31,;36.42,-100.55,;36.42,-98.99,;35.07,-101.33,;33.75,-100.56,;32.4,-101.35,;32.4,-102.87,;31.07,-100.58,;31.07,-99.02,;32.4,-98.26,;33.72,-99,;35.06,-98.23,;35.05,-96.68,;33.71,-95.92,;32.37,-96.7,;29.72,-101.37,;29.72,-102.91,;28.4,-100.61,;28.4,-99.05,;27.05,-101.39,;27.04,-102.91,;26.24,-104.25,;27.02,-105.61,;26.23,-106.93,;24.7,-106.92,;23.93,-105.57,;24.72,-104.24,;25.73,-100.63,;24.37,-101.4,;24.37,-102.93,;23.06,-100.64,;23.06,-99.08,;24.39,-98.31,;24.39,-96.77,;25.72,-96,;25.72,-94.47,;27.05,-93.7,;24.39,-93.7,;21.7,-101.42,;20.38,-100.66,;20.38,-99.1,;19.03,-101.45,;19.03,-102.97,;20.38,-103.75,;21.73,-102.97,;20.38,-105.27,;17.71,-100.68,;16.35,-101.47,;16.35,-102.99,;15.03,-100.7,;15.03,-99.14,;16.36,-98.37,;17.76,-98.98,;18.78,-97.82,;18,-96.49,;16.5,-96.82,;13.68,-101.48,;12.36,-100.72,;12.36,-99.16,;11.01,-101.5,;11.01,-103.03,;12.36,-103.81,;12.36,-105.34,;13.71,-106.11,;9.68,-100.73,;8.34,-101.5,;8.34,-103.05,;7.01,-100.73,;5.67,-101.51,;7.01,-99.19,;8.33,-98.44,;9.66,-99.2,;8.33,-96.87,;44.44,-100.49,;45.76,-101.25,;44.44,-98.92,)|
Structure:
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