BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM86252'   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM86252
PNG
(CAS_0 | NSC_0 | OFQ II 1-28)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](C(C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(C)C)C(N)=O |wU:55.63,74.83,85.92,34.43,94.98,22.22,8.10,115.117,130.132,145.147,167.169,185.187,203.206,232.235,wD:66.71,46.52,26.30,100.102,14.18,4.4,124.126,136.138,156.158,178.180,193.195,212.215,224.227,(21.05,-3.66,;22.39,-2.89,;22.39,-1.35,;23.72,-.58,;23.72,.96,;25.06,1.73,;26.39,.96,;26.39,-.58,;27.73,1.73,;27.73,3.27,;29.06,4.04,;29.06,.96,;30.4,1.73,;30.4,3.27,;31.73,.96,;31.73,-.58,;30.4,-1.35,;29.06,-.58,;30.4,-2.89,;33.07,1.73,;34.4,.96,;34.4,-.58,;35.74,1.73,;37.07,.96,;38.41,1.73,;38.41,3.27,;39.74,.96,;39.74,-.58,;38.41,-1.35,;37.07,-.58,;38.41,-2.89,;41.08,1.73,;42.41,.96,;42.41,-.58,;43.75,1.73,;43.75,3.27,;42.41,4.04,;42.41,5.58,;41.08,6.35,;39.74,5.58,;38.41,6.35,;39.74,4.04,;41.08,3.27,;45.08,.96,;46.42,1.73,;46.42,3.27,;47.75,.96,;47.75,-.58,;46.42,-1.35,;46.42,-2.89,;45.08,-3.66,;47.75,-3.66,;49.09,1.73,;50.42,.96,;50.42,-.58,;51.76,1.73,;51.76,3.27,;53.09,4.04,;53.09,5.58,;54.42,6.35,;54.42,7.89,;53.33,8.97,;55.76,8.66,;53.09,.96,;54.43,1.73,;54.43,3.27,;55.76,.96,;57.1,1.73,;58.43,.96,;59.76,1.73,;61.1,.96,;54.99,-.38,;55.76,-1.71,;57.3,-1.71,;54.99,-3.05,;54,-4.23,;54.53,-5.67,;53.54,-6.85,;54.07,-8.3,;55.59,-8.57,;56.58,-7.38,;56.05,-5.94,;56.17,-4.03,;57.69,-3.76,;58.21,-2.31,;58.68,-4.94,;58.28,-6.42,;59.37,-7.51,;58.97,-9,;60.31,-9.77,;57.49,-9.4,;60.2,-4.66,;61.19,-5.84,;60.67,-7.29,;62.71,-5.57,;63.11,-4.08,;64.59,-3.68,;63.7,-6.74,;65.22,-6.47,;65.74,-5.02,;66.21,-7.65,;67.39,-6.65,;67.21,-8.82,;68.72,-8.55,;69.71,-9.73,;71.23,-9.45,;71.75,-8.01,;70.76,-6.83,;69.24,-7.1,;35.74,3.27,;34.4,4.04,;37.07,4.04,;22.39,1.73,;22.39,3.27,;21.05,.96,;19.72,1.73,;19.72,3.27,;21.05,4.04,;21.05,5.58,;22.38,6.35,;19.72,6.35,;18.38,.96,;18.38,-.58,;17.05,1.73,;15.71,.96,;15.71,-.58,;17.04,-1.35,;14.38,1.73,;14.38,3.27,;13.04,.96,;11.71,1.73,;11.71,3.27,;13.04,4.04,;10.37,.96,;10.37,-.58,;9.04,1.73,;7.7,.96,;7.7,-.58,;6.37,-1.35,;6.37,-2.89,;5.03,-3.66,;7.7,-3.66,;6.36,1.73,;6.36,3.27,;5.03,.96,;3.7,1.73,;3.7,3.27,;5.03,4.04,;5.03,5.58,;6.36,6.35,;6.36,7.89,;7.7,8.66,;5.03,8.66,;2.36,.96,;2.36,-.58,;1.03,1.73,;-.31,.96,;-.31,-.58,;-1.64,-1.35,;-1.64,-2.89,;-2.98,-3.66,;-2.98,-5.2,;-1.64,-5.97,;-4.31,-5.97,;-1.64,1.73,;-1.64,3.27,;-2.98,.96,;-4.31,1.73,;-4.31,3.27,;-2.98,4.04,;-2.98,5.58,;-1.65,6.35,;-1.65,7.89,;-.31,8.66,;-2.98,8.66,;-5.65,.96,;-5.65,-.58,;-6.98,1.73,;-8.32,.96,;-8.32,-.58,;-9.65,-1.35,;-6.99,-1.35,;-9.65,1.73,;-9.65,3.27,;-10.99,.96,;-12.32,1.73,;-12.32,3.27,;-13.66,4.04,;-14.99,3.27,;-13.66,5.58,;-13.66,.96,;-13.66,-.58,;-14.99,1.73,;-16.33,.96,;-16.33,-.58,;-17.66,-1.35,;-17.74,-2.89,;-19.23,-3.29,;-20.07,-2,;-19.1,-.8,;-17.66,1.73,;-17.66,3.27,;-19,.96,;-20.33,1.73,;-20.33,3.27,;-19,4.04,;-19,5.58,;-17.67,6.35,;-20.33,6.35,;-21.67,.96,;-21.67,-.58,;-23,1.73,;-24.34,.96,;-24.34,-.58,;-25.67,-1.35,;-25.67,-2.89,;-27.01,-.58,;-25.67,1.73,;-25.67,3.27,;-27.01,.96,;-28.34,1.73,;-29.68,.96,;-29.68,-.58,;-31.01,1.73,;-32.35,.96,;-32.35,-.58,;-33.68,-1.35,;-35.02,-.58,;-33.68,-2.89,;-33.68,1.73,;-33.68,3.27,;-35.02,.96,;-36.35,1.73,;-36.35,3.27,;-35.02,4.04,;-37.69,4.04,;-37.69,.96,;-39.02,1.73,;-37.69,-.58,)|
Show InChI InChI=1S/C146H235N49O42S2/c1-70(2)54-93(130(225)185-98(60-79-63-163-69-169-79)134(229)177-88(38-43-107(150)204)124(219)186-99(61-109(152)206)118(213)168-64-111(208)170-100(62-110(153)207)136(231)193-113(73(7)8)116(154)211)188-142(237)115(75(11)200)195-129(224)85(31-23-51-167-146(161)162)174-120(215)82(28-20-48-164-143(155)156)171-119(214)83(29-21-49-165-144(157)158)172-122(217)86(36-41-105(148)202)178-138(233)103(67-198)192-140(235)104(68-199)190-126(221)89(39-44-108(151)205)176-128(223)92(47-53-239-13)181-139(234)102(66-197)191-131(226)94(55-71(3)4)187-141(236)114(74(9)10)194-135(230)95(56-72(5)6)182-133(228)97(59-78-32-34-80(201)35-33-78)184-123(218)87(37-42-106(149)203)175-121(216)84(30-22-50-166-145(159)160)173-127(222)91(46-52-238-12)180-132(227)96(58-77-26-18-15-19-27-77)183-125(220)90(40-45-112(209)210)179-137(232)101(65-196)189-117(212)81(147)57-76-24-16-14-17-25-76/h14-19,24-27,32-35,63,69-75,81-104,113-115,196-201H,20-23,28-31,36-62,64-68,147H2,1-13H3,(H2,148,202)(H2,149,203)(H2,150,204)(H2,151,205)(H2,152,206)(H2,153,207)(H2,154,211)(H,163,169)(H,168,213)(H,170,208)(H,171,214)(H,172,217)(H,173,222)(H,174,215)(H,175,216)(H,176,223)(H,177,229)(H,178,233)(H,179,232)(H,180,227)(H,181,234)(H,182,228)(H,183,220)(H,184,218)(H,185,225)(H,186,219)(H,187,236)(H,188,237)(H,189,212)(H,190,221)(H,191,226)(H,192,235)(H,193,231)(H,194,230)(H,195,224)(H,209,210)(H4,155,156,164)(H4,157,158,165)(H4,159,160,166)(H4,161,162,167)/t75?,81-,82+,83+,84+,85+,86+,87+,88+,89+,90-,91-,92+,93+,94+,95+,96-,97+,98+,99+,100+,101+,102+,103+,104+,113+,114+,115+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair