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Target
Substance-K receptor
Ligand
BDBM50290313
Substrate
n/a
Meas. Tech.
ChEBML_142720
IC50
4.5±n/a nM
Citation
 Burkholder, TP; Kudlacz, EM; Maynard, GD; Liu, XG; Le, TB; Webster, ME; Horgan, SW; Wenstrup, DL; Freund, DW; Boyer, F; Bratton, L; Gross, RS; Knippenberg, RW; Logan, DE; Jones, BK; Chen, TM; Geary, JL; Correll, MA; Poole, JC; Mandagere, AK Synthesis and structure-activity relationships for a series of substituted pyrrolidine NK1/NK2 receptor antagonists Bioorg Med Chem Lett 7:2531-2536 (1997)    Article 
Target
Name:
Substance-K receptor
Synonyms:
NK2R_MOUSE | Neurokinin 2 receptor | Tac2r | Tacr2
Type:
PROTEIN
Mol. Mass.:
43128.63
Organism:
Mus musculus
Description:
ChEMBL_142720
Residue:
384
Sequence:
MGAHASVTDTNILSGLESNATGVTAFSMPGWQLALWATAYLALVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFIYASHNIWYFGSTFCYFQNLFPVTAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAVIAVIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLIYFLPLVVMFAAYSVIGLTLWKRAVPRHQAHGANLRHLQAKKKFVKAMVLVVVTFAICWLPYHLYFILGTFQEDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWGTPTEEDRLELTHTPSISRRVNRCHTKETLFMTGDMTHSEATNGQVGGPQDGEPAGP
  
Inhibitor
Name:
BDBM50290313
Synonyms:
(1'-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-2',3',5',6'-tetrahydro-1'H-[3,4']bipyridinyl-4'-yl)-(4-methyl-piperazin-1-yl)-methanone; hydrochloride | CHEMBL553451
Type:
Small organic molecule
Emp. Form.:
C38H47Cl2N5O5
Mol. Mass.:
724.716
SMILES:
COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(=O)N2CCN(C)CC2)c2cccnc2)(C1)c1ccc(Cl)c(Cl)c1 |r|
Structure:
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