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9 similar compounds to monomer 50229229

Compile data set for download or QSAR
Wt: 401.4
BDBM50229232
Wt: 438.5
BDBM50229239
Wt: 468.5
BDBM50229237
Wt: 446.4
BDBM50229235
Wt: 511.5
BDBM50229236
Wt: 492.9
BDBM50229261
Wt: 524.9
BDBM50229266
Wt: 535.5
BDBM50229257
Wt: 274.2
BDBM50229228

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50229232,50229239,50229237,50229235,50229236,50229261,50229266,50229257,50229228   
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/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
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
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
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
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(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)

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
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)
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
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
More data for this
Ligand-Target Pair