Reaction Details Report a problem with these data
Target
Neuromedin-B receptor
Ligand
BDBM50071733
Substrate
n/a
Meas. Tech.
ChEBML_39622
Ki
9.1±n/a nM
Citation
Ashwood, V; Brownhill, V; Higginbottom, M; Horwell, DC; Hughes, J; Lewthwaite, RA; McKnight, AT; Pinnock, RD; Pritchard, MC; Suman-Chauhan, N; Webb, C; Williams, SC PD 176252--the first high affinity non-peptide gastrin-releasing peptide (BB2) receptor antagonist. Bioorg Med Chem Lett 8:2589-94 (1999) [PubMed] Article
More Info.:
Target
Name:
Neuromedin-B receptor
Synonyms:
Bombesin 1 | NMB-R | NMBR | NMBR_HUMAN | Neuromedin B | Neuromedin B receptor | Neuromedin-B receptor | Neuromedin-B-preferring bombesin receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
43447.11
Organism:
Homo sapiens (Human)
Description:
Bombesin 1 NMBR 0::P28336
Residue:
390
Sequence:
MPSKSLSNLSVTTGANESGSVPEGWERDFLPASDGTTTELVIRCVIPSLYLLIITVGLLGNIMLVKIFITNSAMRSVPNIFISNLAAGDLLLLLTCVPVDASRYFFDEWMFGKVGCKLIPVIQLTSVGVSVFTLTALSADRYRAIVNPMDMQTSGALLRTCVKAMGIWVVSVLLAVPEAVFSEVARISSLDNSSFTACIPYPQTDELHPKIHSVLIFLVYFLIPLAIISIYYYHIAKTLIKSAHNLPGEYNEHTKKQMETRKRLAKIVLVFVGCFIFCWFPNHILYMYRSFNYNEIDPSLGHMIVTLVARVLSFGNSCVNPFALYLLSESFRRHFNSQLCCGRKSYQERGTSYLLSSSAVRMTSLKSNAKNMVTNSVLLNGHSMKQEMAL
Inhibitor
Name:
BDBM50071733
Synonyms:
CHEMBL413196 | Compound GRP
Type:
Small organic molecule
Emp. Form.:
C130H203N37O32S2
Mol. Mass.:
2860.362
SMILES:
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(O)=O