Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50089106
Substrate
n/a
Meas. Tech.
ChEBML_48590
IC50
6.7±n/a nM
Citation
 Martín-Martínez, M; Latorre, M; García-López, MT; Cenarruzabeitia, E; Del Río, J; González-Muñiz, R Effects of the incorporation of IBTM beta-turn mimetics into the dipeptoid CCK(1) receptor agonist PD 170292. Bioorg Med Chem Lett 12:109-12 (2001) [PubMed]  Article 
Target
Name:
Gastrin/cholecystokinin type B receptor
Synonyms:
Cckbr | Cholecystokinin A | Cholecystokinin B receptor | Cholecystokinin receptor | GASR_RAT | Gastrin/cholecystokinin type B receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
48980.43
Organism:
RAT
Description:
Cholecystokinin A CCKBR RAT::P30553
Residue:
452
Sequence:
MELLKLNRSVQGPGPGSGSSLCRPGVSLLNSSSAGNLSCDPPRIRGTGTRELEMAIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAISYLMGVSVSVSTLNLVAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTMVQPVGPRVLQCMHRWPSARVQQTWSVLLLLLLFFIPGVVIAVAYGLISRELYLGLHFDGENDSETQSRARNQGGLPGGAAPGPVHQNGGCRPVTSVAGEDSDGCCVQLPRSRLEMTTLTTPTPGPVPGPRPNQAKLLAKKRVVRMLLVIVLLFFLCWLPVYSVNTWRAFDGPGAQRALSGAPISFIHLLSYVSACVNPLVYCFMHRRFRQACLDTCARCCPRPPRARPQPLPDEDPPTPSIASLSRLSYTTISTLGPG
  
Inhibitor
Name:
BDBM50089106
Synonyms:
(S)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-7-(3-o-tolyl-ureido)-heptanoic acid | 3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-7-(3-o-tolyl-ureido)-heptanoic acid | CHEMBL14153 | PD-170292
Type:
Small organic molecule
Emp. Form.:
C38H49N5O6
Mol. Mass.:
671.8256
SMILES:
Cc1ccccc1NC(=O)NCCCCC(CC(O)=O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:23.37,wD:23.24,TLB:41:42:46:39.40.45,38:39:46:42.48.43,THB:43:44:39:42.41.48,43:42:39:44.46.45,41:40:46:42.48.43,(16.59,-2.78,;16.68,-1.24,;18.06,-.54,;18.13,1,;16.84,1.84,;15.47,1.14,;15.4,-.4,;14.03,-1.1,;12.74,-.26,;12.81,1.28,;11.36,-.96,;10.08,-.12,;8.7,-.82,;7.42,.02,;6.04,-.68,;4.74,.16,;4.83,1.7,;6.21,2.4,;7.49,1.56,;6.28,3.94,;3.38,-.52,;2.08,.32,;2.17,1.84,;.71,-.38,;.22,1.38,;.4,-1.99,;1.22,-3.34,;.43,-4.64,;1.42,-5.79,;2.83,-5.21,;4.21,-5.86,;5.47,-4.98,;5.34,-3.46,;3.95,-2.81,;2.71,-3.69,;-.58,.46,;-1.96,-.24,;-2.03,-1.78,;-3.24,.6,;-4.62,-.1,;-4.81,-1.62,;-5.97,-2.76,;-7.3,-2.03,;-8.84,-2.26,;-7.5,-1.14,;-6.24,-1.8,;-7.32,.33,;-5.93,.65,;-7.11,-.45,)|
Structure:
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