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11 similar compounds to monomer 50135221

Compile data set for download or QSAR
Wt: 236.2
BDBM50135202
Wt: 319.3
BDBM50135214
Wt: 431.4
BDBM50135213
Wt: 445.5
BDBM50135217
Wt: 593.7
BDBM50135220
Wt: 540.5
BDBM50135223
Wt: 567.7
BDBM50135224
Wt: 507.2
BDBM50135211
Wt: 392.4
BDBM50135227
Wt: 445.5
BDBM50135216
Wt: 650.7
BDBM50135225

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50135202,50135214,50135213,50135217,50135220,50135223,50135224,50135211,50135227,50135216,50135225   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135225
PNG
(NALOXONAZINE | Naloxonazine)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)\C(CC[C@@]35O)=N\N=C1/CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45
Show InChI InChI=1/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2/h3-8,27-28,33-34,43-46H,1-2,9-20H2/b39-23+,40-24+/t27-,28-,33+,34+,35+,36+,37-,38-/s2
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1.40n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of 2-((1E,3E,5E)-5-(1-Ethyl-3,3-dimethyl-5-sulfoindolin-2-ylidene)-penta-1,3-dien-1-yl)-1-(6-((6-((6S,7R,7aR,12bS)-9-hydroxy-7-methoxy-3...


J Med Chem 58: 9754-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135225
PNG
(NALOXONAZINE | Naloxonazine)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)\C(CC[C@@]35O)=N\N=C1/CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45
Show InChI InChI=1/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2/h3-8,27-28,33-34,43-46H,1-2,9-20H2/b39-23+,40-24+/t27-,28-,33+,34+,35+,36+,37-,38-/s2
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3.20n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells preincubated for 1 hr followed by radioligand addition measured after 1 hr by liqu...


J Med Chem 58: 9754-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135224
PNG
(CHEMBL3747778)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1C(=O)NCCCCCCNC(=O)OC(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45
Show InChI InChI=1/C32H45N3O6/c1-29(2,3)41-28(38)34-16-9-7-6-8-15-33-26(37)21-19-30-12-13-32(21,39-5)27-31(30)14-17-35(4)23(30)18-20-10-11-22(36)25(40-27)24(20)31/h10-13,21,23,27,36H,6-9,14-19H2,1-5H3,(H,33,37)(H,34,38)/t21-,23-,27-,30-,31+,32-/s2
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7.40n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOR expressed in CHO-FlpIn cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 58: 9754-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50135213
PNG
(CHEMBL3747016)
Show SMILES Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)cc1
Show InChI InChI=1/C24H25N5O3/c1-28-11-8-19(27-28)17-6-4-16(5-7-17)13-29-14-18(23-21(29)3-2-10-25-23)24(31)26-20-9-12-32-15-22(20)30/h2-8,10-11,14,20,22,30H,9,12-13,15H2,1H3,(H,26,31)/t20-,22-/s2
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40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 60: 6649-6663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135223
PNG
(CHEMBL3747317)
Show SMILES Cl.Cl.CO[C@]12C=C[C@@]3(C[C@@H]1C(=O)NCCCCCCN)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45
Show InChI InChI=1/C27H37N3O4.2ClH/c1-30-14-11-26-21-17-7-8-19(31)22(21)34-24(26)27(33-2)10-9-25(26,20(30)15-17)16-18(27)23(32)29-13-6-4-3-5-12-28;;/h7-10,18,20,24,31H,3-6,11-16,28H2,1-2H3,(H,29,32);2*1H/t18-,20-,24-,25-,26+,27-;;/s2
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195n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOR expressed in CHO-FlpIn cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 58: 9754-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135220
PNG
(CHEMBL3746274)
Show SMILES CO[C@]12C=C[C@@]3([C@H]4[C@@H]1C(=O)N(CCCCCCNC(=O)OC(C)(C)C)C4=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45
Show InChI InChI=1/C33H43N3O7/c1-30(2,3)43-29(40)34-15-8-6-7-9-16-36-26(38)23-24(27(36)39)33(41-5)13-12-31(23)21-18-19-10-11-20(37)25-22(19)32(31,28(33)42-25)14-17-35(21)4/h10-13,21,23-24,28,37H,6-9,14-18H2,1-5H3,(H,34,40)/t21-,23+,24-,28-,31+,32+,33-/s2
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263n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOR expressed in CHO-FlpIn cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 58: 9754-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50135227
PNG
(CHEMBL3747698)
Show SMILES CNCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC)c2occc12
Show InChI InChI=1S/C22H24N4O3/c1-23-8-10-25-18-15-7-12-29-22(15)19(26-11-9-24-2)17-16(18)20(27)13-5-3-4-6-14(13)21(17)28/h3-7,12,23-26H,8-11H2,1-2H3
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n/an/a 3.93E+3n/an/an/an/an/an/a



Gause Institute of New Antibiotics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC as substrate incubated for 45 mins by fluorescen...


J Med Chem 58: 9522-34 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00859
BindingDB Entry DOI: 10.7270/Q21Z467Q
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50135214
PNG
(CHEMBL3747661)
Show SMILES COc1ccc(CNC(=O)Nc2nc(C)c(s2)C(C)=O)cc1
Show InChI InChI=1S/C15H17N3O3S/c1-9-13(10(2)19)22-15(17-9)18-14(20)16-8-11-4-6-12(21-3)7-5-11/h4-7H,8H2,1-3H3,(H2,16,17,18,20)
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n/an/a 600n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta expressed in Escherichia coli using GS-1 as substrate incubated for 20 mins by gamma[32P]ATP-based scintilla...


Eur J Med Chem 116: 281-289 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.035
BindingDB Entry DOI: 10.7270/Q2BP04P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50135213
PNG
(CHEMBL3747016)
Show SMILES Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)cc1
Show InChI InChI=1/C24H25N5O3/c1-28-11-8-19(27-28)17-6-4-16(5-7-17)13-29-14-18(23-21(29)3-2-10-25-23)24(31)26-20-9-12-32-15-22(20)30/h2-8,10-11,14,20,22,30H,9,12-13,15H2,1H3,(H,26,31)/t20-,22-/s2
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n/an/an/an/a 55n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal...


J Med Chem 60: 6649-6663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50135217
PNG
(CHEMBL3746869)
Show SMILES Cc1ccnc2c(cn(Cc3ccc(cc3)-c3ccn(C)n3)c12)C(=O)N[C@H]1CCOC[C@@H]1O
Show InChI InChI=1/C25H27N5O3/c1-16-7-10-26-23-19(25(32)27-21-9-12-33-15-22(21)31)14-30(24(16)23)13-17-3-5-18(6-4-17)20-8-11-29(2)28-20/h3-8,10-11,14,21-22,31H,9,12-13,15H2,1-2H3,(H,27,32)/t21-,22-/s2
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n/an/an/an/a 9n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50135216
PNG
(CHEMBL3747004)
Show SMILES Cc1cnc2c(cn(Cc3ccc(cc3)-c3ccn(C)n3)c2c1)C(=O)N[C@H]1CCOC[C@@H]1O
Show InChI InChI=1/C25H27N5O3/c1-16-11-22-24(26-12-16)19(25(32)27-21-8-10-33-15-23(21)31)14-30(22)13-17-3-5-18(6-4-17)20-7-9-29(2)28-20/h3-7,9,11-12,14,21,23,31H,8,10,13,15H2,1-2H3,(H,27,32)/t21-,23-/s2
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n/an/an/an/a 211n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50135213
PNG
(CHEMBL3747016)
Show SMILES Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)cc1
Show InChI InChI=1/C24H25N5O3/c1-28-11-8-19(27-28)17-6-4-16(5-7-17)13-29-14-18(23-21(29)3-2-10-25-23)24(31)26-20-9-12-32-15-22(20)30/h2-8,10-11,14,20,22,30H,9,12-13,15H2,1H3,(H,26,31)/t20-,22-/s2
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n/an/an/an/a 55n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50135214
PNG
(CHEMBL3747661)
Show SMILES COc1ccc(CNC(=O)Nc2nc(C)c(s2)C(C)=O)cc1
Show InChI InChI=1S/C15H17N3O3S/c1-9-13(10(2)19)22-15(17-9)18-14(20)16-8-11-4-6-12(21-3)7-5-11/h4-7H,8H2,1-3H3,(H2,16,17,18,20)
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n/an/a 400n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Competitive inhibition of glycogen synthase kinase-3 (unknown origin) in presence of ATP


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50135213
PNG
(CHEMBL3747016)
Show SMILES Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)cc1
Show InChI InChI=1/C24H25N5O3/c1-28-11-8-19(27-28)17-6-4-16(5-7-17)13-29-14-18(23-21(29)3-2-10-25-23)24(31)26-20-9-12-32-15-22(20)30/h2-8,10-11,14,20,22,30H,9,12-13,15H2,1H3,(H,26,31)/t20-,22-/s2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in calcium mobilization incubated for 10 m...


J Med Chem 60: 6649-6663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50135211
PNG
(CHEMBL3747426)
Show SMILES Br.Br.C(\N=C1/NC(N(S1)c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1/C21H19N3S.2BrH/c1-4-10-17(11-5-1)16-22-21-23-20(18-12-6-2-7-13-18)24(25-21)19-14-8-3-9-15-19;;/h1-15,20H,16H2,(H,22,23);2*1H
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n/an/a 1.28E+3n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (unknown origin)


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50135202
PNG
(CHEMBL3742036)
Show SMILES COc1cc(nc(OC)n1)N1N=C(C)CC1=O
Show InChI InChI=1S/C10H12N4O3/c1-6-4-9(15)14(13-6)7-5-8(16-2)12-10(11-7)17-3/h5H,4H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of N-alpha-biotinyl-amyloid beta (1 to 42 residues) (unknown origin) oligomerization incubated for 1 hr by sandwich biotin-avidin assay


Bioorg Med Chem Lett 26: 100-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.022
BindingDB Entry DOI: 10.7270/Q2319XQW
More data for this
Ligand-Target Pair