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7 similar compounds to monomer 50229241

Compile data set for download or QSAR
Wt: 446.4
BDBM50229235
Wt: 474.5
BDBM50229233
Wt: 412.4
BDBM50229250
Wt: 491.4
BDBM50229252
Wt: 524.9
BDBM50229266
Wt: 593.6
BDBM50229254
Wt: 299.3
BDBM50229242

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50229235,50229233,50229250,50229252,50229266,50229254,50229242   
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
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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PubMed
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)
BDBM50229252
PNG
(CHEMBL2115147)
Show SMILES CCOC(=O)C1=C(CS(=O)(=O)c2ccncc2)NC(C)=C(C#N)C1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H20F3N3O4S/c1-3-33-22(30)21-19(13-34(31,32)15-8-10-28-11-9-15)29-14(2)17(12-27)20(21)16-6-4-5-7-18(16)23(24,25)26/h4-11,20,29H,3,13H2,1-2H3
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n/an/a>1.00E+6n/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)
BDBM50229254
PNG
(CHEMBL308367)
Show SMILES CN(CCO\C(O)=C1\C(C(C#N)=C(C)N=C1C[S+]([O-])c1ccccc1)c1ccccc1C(F)(F)F)Cc1ccccc1
Show InChI InChI=1S/C32H30F3N3O3S/c1-22-26(19-36)29(25-15-9-10-16-27(25)32(33,34)35)30(28(37-22)21-42(40)24-13-7-4-8-14-24)31(39)41-18-17-38(2)20-23-11-5-3-6-12-23/h3-16,29,39H,17-18,20-21H2,1-2H3/b31-30+
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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
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50229242
PNG
(CHEMBL4084908)
Show SMILES CN(Cc1cc(F)cc(F)c1F)C(=O)C1(C)CCCCC1
Show InChI InChI=1S/C16H20F3NO/c1-16(6-4-3-5-7-16)15(21)20(2)10-11-8-12(17)9-13(18)14(11)19/h8-9H,3-7,10H2,1-2H3
PDB

Reactome pathway
KEGG

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B.MOAD
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PubMed
n/an/an/an/a 490n/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
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229252
PNG
(CHEMBL2115147)
Show SMILES CCOC(=O)C1=C(CS(=O)(=O)c2ccncc2)NC(C)=C(C#N)C1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H20F3N3O4S/c1-3-33-22(30)21-19(13-34(31,32)15-8-10-28-11-9-15)29-14(2)17(12-27)20(21)16-6-4-5-7-18(16)23(24,25)26/h4-11,20,29H,3,13H2,1-2H3
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PubMed
n/an/a 271n/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)
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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Article
PubMed
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
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
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
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
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229252
PNG
(CHEMBL2115147)
Show SMILES CCOC(=O)C1=C(CS(=O)(=O)c2ccncc2)NC(C)=C(C#N)C1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H20F3N3O4S/c1-3-33-22(30)21-19(13-34(31,32)15-8-10-28-11-9-15)29-14(2)17(12-27)20(21)16-6-4-5-7-18(16)23(24,25)26/h4-11,20,29H,3,13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 152n/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