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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 4' and Ligand = 'BDBM84988'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM84988
PNG
(SS-22)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)C(C)NC(=O)C(NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC(N)=O)NC1=O)C(C)O)C(O)=O)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(N)CC(O)=O)C(C)O)C(C)C)C(C)O |(36.91,8.16,;36.91,6.63,;35.58,6.14,;35.58,4.56,;36.95,3.94,;37.07,2.37,;35.67,1.58,;34.38,2.37,;35.67,.01,;37.07,-.73,;36.95,-2.31,;38.36,-2.89,;38.52,-4.46,;37.16,-5.2,;37.16,-6.78,;38.56,-7.44,;38.56,-8.97,;39.89,-6.65,;39.89,-5.16,;41.21,-7.48,;42.54,-6.57,;42.41,-5.04,;43.94,-7.31,;45.23,-6.57,;45.23,-5.04,;43.86,-4.38,;46.51,-4.17,;47.92,-4.83,;48.69,-6.16,;47.92,-7.5,;48.69,-8.83,;47.92,-10.17,;48.69,-11.5,;46.38,-10.17,;46.34,-2.64,;47.71,-1.89,;47.71,-.36,;49.07,-2.6,;49.28,-4.13,;50.69,-4.75,;50.48,-1.81,;50.36,-.24,;48.99,.42,;51.68,.55,;53.01,-.28,;54.21,.63,;55.49,-.2,;56.69,.71,;56.23,2.16,;51.68,2.12,;50.32,2.78,;49.07,1.96,;50.32,4.36,;51.6,5.22,;52.92,4.4,;53.05,2.95,;54.54,2.58,;55.28,3.9,;56.81,4.15,;57.27,5.68,;56.23,6.84,;54.7,6.51,;54.29,5.02,;48.91,5.14,;47.63,4.27,;47.75,2.78,;46.22,4.94,;46.09,6.51,;47.5,7.29,;47.5,8.78,;48.78,9.61,;50.11,8.87,;50.11,7.34,;48.83,6.55,;44.94,4.03,;43.53,4.85,;42.2,4.11,;43.53,6.43,;44.89,7.13,;44.73,8.74,;46.01,9.53,;46.01,11.1,;44.69,11.85,;44.69,13.39,;43.36,11.02,;43.36,9.45,;42.16,7.25,;40.92,6.38,;40.92,4.85,;39.47,7.13,;39.35,8.66,;40.76,9.32,;40.76,10.81,;41.96,8.45,;38.15,6.34,;38.27,4.77,;39.64,4.15,;43.94,-8.8,;42.58,-9.59,;45.23,-9.55,;35.83,-4.5,;34.55,-5.29,;35.83,-3.01,;34.38,-.86,;33.02,-.11,;33.02,1.42,;31.69,-.9,;31.69,-2.44,;30.6,-3.53,;29.12,-3.13,;30.6,-5.07,;30.45,.05,;29.17,-.82,;29.25,-2.31,;27.76,-.15,;27.6,1.38,;28.69,2.47,;28.69,4.01,;30.17,2.07,;26.48,-1.07,;25.16,-.28,;25.16,1.25,;23.79,-1.02,;23.79,-2.6,;22.84,-2.98,;22.07,-1.64,;22.47,-.15,;21.22,-.98,;21.22,-2.47,;19.82,-.24,;19.69,1.34,;21.02,1.96,;21.02,3.53,;22.34,4.15,;22.34,5.69,;18.53,-1.15,;17.29,-.32,;17.29,1.17,;15.93,-1.02,;15.93,-2.6,;17.34,-3.21,;14.64,-.2,;13.4,-1.07,;13.53,-2.6,;12.08,-.44,;10.8,-1.31,;9.76,-.4,;10.18,1.09,;8.27,-.65,;6.78,-.15,;5.5,-1.02,;5.62,-2.6,;4.09,-.4,;2.81,-1.35,;1.53,-.53,;1.53,.96,;.16,-1.27,;.16,-2.8,;1.57,-3.38,;2.9,-2.61,;1.57,-4.92,;-1.16,-.49,;-2.36,-1.44,;-2.12,-2.97,;-3.73,-.94,;-4.93,-1.85,;-3.94,.59,;-2.85,1.68,;-1.36,1.28,;-3.25,3.17,;3.93,1.13,;2.84,2.22,;5.26,1.9,;8.27,-2.19,;6.94,-2.96,;9.61,-2.96,;11.95,1.13,;13.32,1.79,;10.87,2.22,)|
Show InChI InChI=1S/C111H169N31O34S3/c1-52(2)39-69(133-104(169)80-28-20-37-142(80)109(174)68(26-16-18-35-113)126-102(167)77(49-144)135-107(172)87(56(7)146)141-105(170)85(53(3)4)138-108(173)88(57(8)147)140-100(165)75(46-83(117)151)127-90(155)63(114)43-84(152)153)94(159)132-74(45-82(116)150)99(164)136-78-50-178-179-51-79(110(175)176)137-89(154)54(5)122-106(171)86(55(6)145)139-93(158)66(27-19-36-120-111(118)119)124-101(166)76(48-143)134-91(156)65(25-15-17-34-112)123-97(162)72(42-60-47-121-64-24-14-13-23-62(60)64)130-96(161)70(40-58-21-11-10-12-22-58)128-95(160)71(41-59-29-31-61(148)32-30-59)129-98(163)73(44-81(115)149)131-92(157)67(33-38-177-9)125-103(78)168/h10-14,21-24,29-32,47,52-57,63,65-80,85-88,121,143-148H,15-20,25-28,33-46,48-51,112-114H2,1-9H3,(H2,115,149)(H2,116,150)(H2,117,151)(H,122,171)(H,123,162)(H,124,166)(H,125,168)(H,126,167)(H,127,155)(H,128,160)(H,129,163)(H,130,161)(H,131,157)(H,132,159)(H,133,169)(H,134,156)(H,135,172)(H,136,164)(H,137,154)(H,138,173)(H,139,158)(H,140,165)(H,141,170)(H,152,153)(H,175,176)(H4,118,119,120)/p+1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Sandoz Pharma Ltd

Curated by PDSP Ki Database




Metab Clin Exp 45: 17-20 (1996)


Article DOI: 10.1016/s0026-0495(96)90072-4
BindingDB Entry DOI: 10.7270/Q2WQ02B7
More data for this
Ligand-Target Pair