Reaction Details Report a problem with these data
Target
Neuropeptides B/W receptor type 1
Ligand
BDBM62077
Substrate
n/a
Meas. Tech.
Fluorescence-based dose response cell-based high throughput screening assay to identify antagonists of the G-protein coupled receptor 7 (GPR7).
IC50
5295±n/a nM
Citation
 PubChem, PC Fluorescence-based dose response cell-based high throughput screening assay to identify antagonists of the G-protein coupled receptor 7 (GPR7). PubChem Bioassay (2010)[AID] 
Target
Name:
Neuropeptides B/W receptor type 1
Synonyms:
GPR7 | NPBW1_HUMAN | NPBWR1 | neuropeptides B/W receptor 1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
36111.82
Organism:
Homo sapiens (Human)
Description:
gi_119607128
Residue:
328
Sequence:
MDNASFSEPWPANASGPDPALSCSNASTLAPLPAPLAVAVPVVYAVICAVGLAGNSAVLYVLLRAPRMKTVTNLFILNLAIADELFTLVLPINIADFLLRQWPFGELMCKLIVAIDQYNTFSSLYFLTVMSADRYLVVLATAESRRVAGRTYSAARAVSLAVWGIVTLVVLPFAVFARLDDEQGRRQCVLVFPQPEAFWWRASRLYTLVLGFAIPVSTICVLYTTLLCRLHAMRLDSHAKALERAKKRVTFLVVAILAVCLLCWTPYHLSTVVALTTDLPQTPLVIAISYFITSLSYANSCLNPFLYAFLDASFRRNLRQLITCRAAA
  
Inhibitor
Name:
BDBM62077
Synonyms:
2-[[4-(2,4-dimethylphenyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2-[[4-(2,4-dimethylphenyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide | 2-[[4-(2,4-dimethylphenyl)-5-(4-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetamide | 2-[[4-(2,4-dimethylphenyl)-5-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide | 2-{4-(2,4-Dimethyl-phenyl)-5-[4-(piperidine-1-sulfonyl)-phenyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide | MLS000122826 | SMR000123471 | cid_1431538
Type:
Small organic molecule
Emp. Form.:
C23H27N5O3S2
Mol. Mass.:
485.622
SMILES:
Cc1ccc(c(C)c1)-n1c(SCC(N)=O)nnc1-c1ccc(cc1)S(=O)(=O)N1CCCCC1 |(11.72,-.17,;10.26,-.64,;9.12,.39,;7.65,-.09,;7.33,-1.6,;8.48,-2.63,;8.15,-4.13,;9.94,-2.15,;5.87,-2.07,;5.39,-3.54,;6.3,-4.78,;5.67,-6.19,;6.57,-7.43,;5.95,-8.84,;8.11,-7.27,;3.85,-3.54,;3.37,-2.07,;4.62,-1.17,;4.62,.37,;3.29,1.14,;3.29,2.68,;4.62,3.45,;5.95,2.68,;5.95,1.14,;4.62,4.99,;3.08,4.99,;6.16,4.99,;4.62,6.53,;5.95,7.3,;5.95,8.84,;4.62,9.61,;3.29,8.84,;3.29,7.3,)|
Structure:
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