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24 similar compounds to monomer 50229235

Compile data set for download or QSAR
Wt: 401.4
BDBM50229232
Wt: 438.5
BDBM50229239
Wt: 466.5
BDBM50229241
Wt: 468.5
BDBM50229237
Wt: 464.5
BDBM50229238
Wt: 427.4
BDBM50229230
Wt: 494.5
BDBM50229234
Wt: 508.4
BDBM50229265
Wt: 511.5
BDBM50229236
Wt: 430.4
BDBM50229258
Wt: 407.4
BDBM50229259
Wt: 472.5
BDBM50229260
Wt: 492.9
BDBM50229261
Wt: 412.4
BDBM50229250
Wt: 524.9
BDBM50229266
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50229232,50229239,50229241,50229237,50229238,50229230,50229234,50229265,50229236,50229258,50229259,50229260,50229261,50229250,50229266   
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/kappa 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
mu/kappa 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/kappa 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
mu/kappa 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)
BDBM50229265
PNG
(CHEMBL73271)
Show SMILES CCO\C(O)=C1\C(C(C#N)=C(C)N=C1CS(=O)(=O)c1ccccc1F)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H20F4N2O4S/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>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
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
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50229234
PNG
(CHEMBL416090)
Show SMILES C=CCOc1ccc(cc1)-c1cc2n(Cc3ccccc3)c3C(=O)N(Cc3c(=O)n2n1)C1CCCCC1
Show InChI InChI=1S/C30H30N4O3/c1-2-17-37-24-15-13-22(14-16-24)26-18-27-33(19-21-9-5-3-6-10-21)28-25(29(35)34(27)31-26)20-32(30(28)36)23-11-7-4-8-12-23/h2-3,5-6,9-10,13-16,18,23H,1,4,7-8,11-12,17,19-20H2
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n/an/a 5.70n/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
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50229236
PNG
(CHEMBL46356)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Cn1c2C(=O)N(Cc2c(=O)n2nc(cc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C28H25N5O5/c34-24(19-10-7-13-21(14-19)33(37)38)17-31-25-15-23(18-8-3-1-4-9-18)29-32(25)27(35)22-16-30(28(36)26(22)31)20-11-5-2-6-12-20/h1,3-4,7-10,13-15,20H,2,5-6,11-12,16-17H2
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n/an/a 1.40n/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
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
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50229238
PNG
(CHEMBL297097)
Show SMILES O=C1N(Cc2c1n(C\C=C\c1ccccc1)c1cc(nn1c2=O)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C29H28N4O2/c34-28-24-20-32(23-16-8-3-9-17-23)29(35)27(24)31(18-10-13-21-11-4-1-5-12-21)26-19-25(30-33(26)28)22-14-6-2-7-15-22/h1-2,4-7,10-15,19,23H,3,8-9,16-18,20H2/b13-10+
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n/an/a 7.20n/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
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
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229261
PNG
(CHEMBL307161)
Show SMILES CCO\C(O)=C1\C(C(C#N)=C(C)N=C1CSc1ccccc1Cl)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H20ClF3N2O2S/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>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
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
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229259
PNG
(CHEMBL308270)
Show SMILES CCO\C(O)=C1\C(C(C#N)=C(C)N=C1C[S+]([O-])c1ccccc1)c1ccccn1
Show InChI InChI=1S/C22H21N3O3S/c1-3-28-22(26)21-19(14-29(27)16-9-5-4-6-10-16)25-15(2)17(13-23)20(21)18-11-7-8-12-24-18/h4-12,20,26H,3,14H2,1-2H3/b22-21+
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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
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50229241
PNG
(CHEMBL295382)
Show SMILES O=C(Cn1c2C(=O)N(Cc2c(=O)n2nc(cc12)-c1ccccc1)C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C28H26N4O3/c33-24(20-12-6-2-7-13-20)18-31-25-16-23(19-10-4-1-5-11-19)29-32(25)27(34)22-17-30(28(35)26(22)31)21-14-8-3-9-15-21/h1-2,4-7,10-13,16,21H,3,8-9,14-15,17-18H2
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n/an/a 1.70n/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
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229250
PNG
(CHEMBL304293)
Show SMILES CCO\C(O)=C1\C(c2ccco2)C(C#N)=C(C)N=C1CS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H20N2O5S/c1-3-27-21(24)20-17(13-29(25,26)15-8-5-4-6-9-15)23-14(2)16(12-22)19(20)18-10-7-11-28-18/h4-11,19,24H,3,13H2,1-2H3/b21-20+
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n/an/a 254n/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
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229258
PNG
(CHEMBL72604)
Show SMILES CC1=C(C#N)C(C(C(O)=O)=C(CSc2ccccc2)N1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H17F3N2O2S/c1-13-16(11-26)19(15-9-5-6-10-17(15)22(23,24)25)20(21(28)29)18(27-13)12-30-14-7-3-2-4-8-14/h2-10,19,27H,12H2,1H3,(H,28,29)
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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
More data for this
Ligand-Target Pair