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14 similar compounds to monomer 50229268

Compile data set for download or QSAR
Wt: 401.4
BDBM50229232
Wt: 424.4
BDBM50229247
Wt: 438.5
BDBM50229239
Wt: 468.5
BDBM50229237
Wt: 446.4
BDBM50229235
Wt: 427.4
BDBM50229230
Wt: 474.5
BDBM50229233
Wt: 472.5
BDBM50229260
Wt: 505.5
BDBM50229246
Wt: 524.9
BDBM50229266
Wt: 476.4
BDBM50229264
Wt: 535.5
BDBM50229257
Wt: 474.4
BDBM50229245
Wt: 274.2
BDBM50229228

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50229232,50229247,50229239,50229237,50229235,50229230,50229233,50229260,50229246,50229266,50229264,50229257,50229245,50229228   
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50229232
PNG
(CHEMBL610527)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=CC[C@@]35O)c1ccccc1
Show InChI InChI=1S/C26H27NO3/c28-20-9-8-18-14-21-26(29)11-10-19(17-4-2-1-3-5-17)24-25(26,22(18)23(20)30-24)12-13-27(21)15-16-6-7-16/h1-5,8-10,16,21,24,28-29H,6-7,11-15H2/t21-,24+,25+,26-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Opioid receptor mu using [3H]DAMGO as radioligand in guinea pig brain membrane


J Med Chem 34: 1715-20 (1991)


Article DOI: 10.1021/jm00109a027
BindingDB Entry DOI: 10.7270/Q2T43TPG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50229232
PNG
(CHEMBL610527)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=CC[C@@]35O)c1ccccc1
Show InChI InChI=1S/C26H27NO3/c28-20-9-8-18-14-21-26(29)11-10-19(17-4-2-1-3-5-17)24-25(26,22(18)23(20)30-24)12-13-27(21)15-16-6-7-16/h1-5,8-10,16,21,24,28-29H,6-7,11-15H2/t21-,24+,25+,26-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to opioid receptor kappa using [3H]-EK as radioligand in guinea pig brain membrane


J Med Chem 34: 1715-20 (1991)


Article DOI: 10.1021/jm00109a027
BindingDB Entry DOI: 10.7270/Q2T43TPG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50229230
PNG
(CHEMBL610007)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1nc2ccccc2nc1C[C@@]35O
Show InChI InChI=1S/C26H25N3O3/c30-19-8-7-15-11-20-26(31)12-18-22(28-17-4-2-1-3-16(17)27-18)24-25(26,21(15)23(19)32-24)9-10-29(20)13-14-5-6-14/h1-4,7-8,14,20,24,30-31H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to opioid receptor delta using [3H]DADLE as radioligand in guinea pig brain membrane


J Med Chem 34: 1715-20 (1991)


Article DOI: 10.1021/jm00109a027
BindingDB Entry DOI: 10.7270/Q2T43TPG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50229230
PNG
(CHEMBL610007)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1nc2ccccc2nc1C[C@@]35O
Show InChI InChI=1S/C26H25N3O3/c30-19-8-7-15-11-20-26(31)12-18-22(28-17-4-2-1-3-16(17)27-18)24-25(26,21(15)23(19)32-24)9-10-29(20)13-14-5-6-14/h1-4,7-8,14,20,24,30-31H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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73n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Opioid receptor mu using [3H]DAMGO as radioligand in guinea pig brain membrane


J Med Chem 34: 1715-20 (1991)


Article DOI: 10.1021/jm00109a027
BindingDB Entry DOI: 10.7270/Q2T43TPG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50229230
PNG
(CHEMBL610007)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1nc2ccccc2nc1C[C@@]35O
Show InChI InChI=1S/C26H25N3O3/c30-19-8-7-15-11-20-26(31)12-18-22(28-17-4-2-1-3-16(17)27-18)24-25(26,21(15)23(19)32-24)9-10-29(20)13-14-5-6-14/h1-4,7-8,14,20,24,30-31H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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1.91E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to opioid receptor kappa using [3H]-EK as radioligand in guinea pig brain membrane


J Med Chem 34: 1715-20 (1991)


Article DOI: 10.1021/jm00109a027
BindingDB Entry DOI: 10.7270/Q2T43TPG
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229264
PNG
(CHEMBL72305)
Show SMILES CCO\C(O)=C1\C(C(C#N)=C(C)N=C1CSc1ccccc1F)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H20F4N2O2S/c1-3-32-23(31)22-19(13-33-20-11-7-6-10-18(20)25)30-14(2)16(12-29)21(22)15-8-4-5-9-17(15)24(26,27)28/h4-11,21,31H,3,13H2,1-2H3/b23-22+
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n/an/a 267n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
BindingDB Entry DOI: 10.7270/Q27P91MK
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229266
PNG
(CHEMBL424234)
Show SMILES CCO\C(O)=C1\C(C(C#N)=C(C)N=C1CS(=O)(=O)c1ccccc1Cl)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H20ClF3N2O4S/c1-3-34-23(31)22-19(13-35(32,33)20-11-7-6-10-18(20)25)30-14(2)16(12-29)21(22)15-8-4-5-9-17(15)24(26,27)28/h4-11,21,31H,3,13H2,1-2H3/b23-22+
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n/an/a>500n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
BindingDB Entry DOI: 10.7270/Q27P91MK
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229245
PNG
(CHEMBL2115150)
Show SMILES CCOC(=O)C1=C(C[S+]([O-])c2ccccc2)NC(C)=C(C#N)C1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O3S/c1-3-32-23(30)22-20(14-33(31)16-9-5-4-6-10-16)29-15(2)18(13-28)21(22)17-11-7-8-12-19(17)24(25,26)27/h4-12,21,29H,3,14H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
BindingDB Entry DOI: 10.7270/Q27P91MK
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229257
PNG
(CHEMBL2115149)
Show SMILES CCOC(=O)C1=C(C)NC(C[S+]([O-])c2ccccc2C)=C(C1c1ccccc1C(F)(F)F)C(=O)OCC
Show InChI InChI=1S/C27H28F3NO5S/c1-5-35-25(32)22-17(4)31-20(15-37(34)21-14-10-7-11-16(21)3)24(26(33)36-6-2)23(22)18-12-8-9-13-19(18)27(28,29)30/h7-14,23,31H,5-6,15H2,1-4H3
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n/an/a 160n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
BindingDB Entry DOI: 10.7270/Q27P91MK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50229233
PNG
(CHEMBL299604)
Show SMILES O=C(Cn1c2C(=O)N(Cc3ccccc3)Cc2c(=O)n2nc(cc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H22N4O3/c34-25(22-14-8-3-9-15-22)19-32-26-16-24(21-12-6-2-7-13-21)30-33(26)28(35)23-18-31(29(36)27(23)32)17-20-10-4-1-5-11-20/h1-16H,17-19H2
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n/an/a 2.60n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.


J Med Chem 34: 1721-7 (1991)


Article DOI: 10.1021/jm00109a028
BindingDB Entry DOI: 10.7270/Q2CC12X4
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50229235
PNG
(CHEMBL46610)
Show SMILES O=C1N(Cc2ccccc2)Cc2c1n(Cc1ccccc1)c1cc(nn1c2=O)-c1ccccc1
Show InChI InChI=1S/C28H22N4O2/c33-27-23-19-30(17-20-10-4-1-5-11-20)28(34)26(23)31(18-21-12-6-2-7-13-21)25-16-24(29-32(25)27)22-14-8-3-9-15-22/h1-16H,17-19H2
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n/an/a 4.70n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.


J Med Chem 34: 1721-7 (1991)


Article DOI: 10.1021/jm00109a028
BindingDB Entry DOI: 10.7270/Q2CC12X4
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50229237
PNG
(CHEMBL47580)
Show SMILES CC(C)CC(C)N1Cc2c(C1=O)n(CC(=O)c1ccccc1)c1cc(nn1c2=O)-c1ccccc1
Show InChI InChI=1S/C28H28N4O3/c1-18(2)14-19(3)30-16-22-26(28(30)35)31(17-24(33)21-12-8-5-9-13-21)25-15-23(29-32(25)27(22)34)20-10-6-4-7-11-20/h4-13,15,18-19H,14,16-17H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.


J Med Chem 34: 1721-7 (1991)


Article DOI: 10.1021/jm00109a028
BindingDB Entry DOI: 10.7270/Q2CC12X4
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50229239
PNG
(CHEMBL297571)
Show SMILES O=C1N(Cc2c1n(Cc1ccccc1)c1cc(nn1c2=O)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C27H26N4O2/c32-26-22-18-29(21-14-8-3-9-15-21)27(33)25(22)30(17-19-10-4-1-5-11-19)24-16-23(28-31(24)26)20-12-6-2-7-13-20/h1-2,4-7,10-13,16,21H,3,8-9,14-15,17-18H2
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n/an/a 3.5n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.


J Med Chem 34: 1721-7 (1991)


Article DOI: 10.1021/jm00109a028
BindingDB Entry DOI: 10.7270/Q2CC12X4
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229260
PNG
(CHEMBL419074)
Show SMILES CC(C)O\C(O)=C1\C(C(C#N)=C(C)N=C1CSc1ccccc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H23F3N2O2S/c1-15(2)32-24(31)23-21(14-33-17-9-5-4-6-10-17)30-16(3)19(13-29)22(23)18-11-7-8-12-20(18)25(26,27)28/h4-12,15,22,31H,14H2,1-3H3/b24-23+
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n/an/a 250n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
BindingDB Entry DOI: 10.7270/Q27P91MK
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229257
PNG
(CHEMBL2115149)
Show SMILES CCOC(=O)C1=C(C)NC(C[S+]([O-])c2ccccc2C)=C(C1c1ccccc1C(F)(F)F)C(=O)OCC
Show InChI InChI=1S/C27H28F3NO5S/c1-5-35-25(32)22-17(4)31-20(15-37(34)21-14-10-7-11-16(21)3)24(26(33)36-6-2)23(22)18-12-8-9-13-19(18)27(28,29)30/h7-14,23,31H,5-6,15H2,1-4H3
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n/an/a 170n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
BindingDB Entry DOI: 10.7270/Q27P91MK
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229247
PNG
(CHEMBL72643)
Show SMILES CCO\C(O)=C1\C(C(C#N)=C(C)N=C1CS(=O)(=O)c1ccncc1)c1ccccn1
Show InChI InChI=1S/C21H20N4O4S/c1-3-29-21(26)20-18(13-30(27,28)15-7-10-23-11-8-15)25-14(2)16(12-22)19(20)17-6-4-5-9-24-17/h4-11,19,26H,3,13H2,1-2H3/b21-20+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
BindingDB Entry DOI: 10.7270/Q27P91MK
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50229228
PNG
(CHEMBL4069797)
Show SMILES CC(C)N(C)C(=O)N(C)Cc1cc(F)cc(F)c1F
Show InChI InChI=1S/C13H17F3N2O/c1-8(2)18(4)13(19)17(3)7-9-5-10(14)6-11(15)12(9)16/h5-6,8H,7H2,1-4H3
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n/an/an/an/a>3.00E+3n/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell ...


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
BindingDB Entry DOI: 10.7270/Q2QC05QD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229245
PNG
(CHEMBL2115150)
Show SMILES CCOC(=O)C1=C(C[S+]([O-])c2ccccc2)NC(C)=C(C#N)C1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O3S/c1-3-32-23(30)22-20(14-33(31)16-9-5-4-6-10-16)29-15(2)18(13-28)21(22)17-11-7-8-12-19(17)24(25,26)27/h4-12,21,29H,3,14H2,1-2H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
BindingDB Entry DOI: 10.7270/Q27P91MK
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229246
PNG
(CHEMBL74456)
Show SMILES CCO\C(O)=C1\C(C(C#N)=C(C)N=C1CS(=O)(=O)c1ccc(N)cc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H22F3N3O4S/c1-3-34-23(31)22-20(13-35(32,33)16-10-8-15(29)9-11-16)30-14(2)18(12-28)21(22)17-6-4-5-7-19(17)24(25,26)27/h4-11,21,31H,3,13,29H2,1-2H3/b23-22+
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PC sid
UniChem

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Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
BindingDB Entry DOI: 10.7270/Q27P91MK
More data for this
Ligand-Target Pair