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9 similar compounds to monomer 50227252

Compile data set for download or QSAR
Wt: 143.1
BDBM50227239
Wt: 231.2
BDBM50227240
Wt: 398.8
BDBM50226729
Wt: 388.4
BDBM50227255
Wt: 411.4
BDBM50227256
Wt: 431.0
BDBM50227241
Wt: 412.5
BDBM50226726
Wt: 411.4
BDBM50227257
Wt: 442.5
BDBM50227242

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50227239,50227240,50226729,50227255,50227256,50227241,50226726,50227257,50227242   
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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227242
PNG
(CHEMBL308157)
Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCN3CCN=C3S)CC2)c2cc(F)ccc12
Show InChI InChI=1/C24H28F2N4S/c25-18-3-1-17(2-4-18)21-16-23(22-15-19(26)5-6-20(21)22)29-12-9-28(10-13-29)11-14-30-8-7-27-24(30)31/h1-6,15,21,23H,7-14,16H2,(H,27,31)
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n/an/a 4.90n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to 5-hydroxytryptamine 2 receptor from rat cortical membranes


J Med Chem 31: 2247-56 (1989)


Article DOI: 10.1021/jm00120a003
BindingDB Entry DOI: 10.7270/Q2JQ11K7
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50227255
PNG
(CHEMBL102907)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-7-6-8-15(9-14)22(25)26/h6-9,11,18,23H,10H2,1-5H3/b19-16+
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n/an/a 0.00810n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to guinea pig ileal longitudinal smooth muscle


J Med Chem 31: 300-5 (1988)


Article DOI: 10.1021/jm00397a005
BindingDB Entry DOI: 10.7270/Q2GM89HN
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50227256
PNG
(CHEMBL103806)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1/C21H24F3NO4/c1-11(2)10-29-20(27)17-13(4)25-12(3)16(19(26)28-5)18(17)14-8-6-7-9-15(14)21(22,23)24/h6-9,11,18,26H,10H2,1-5H3/b19-16+
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n/an/a 0.0270n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to guinea pig ileal longitudinal smooth muscle


J Med Chem 31: 300-5 (1988)


Article DOI: 10.1021/jm00397a005
BindingDB Entry DOI: 10.7270/Q2GM89HN
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50227257
PNG
(CHEMBL321999)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1cccc(c1)C(F)(F)F
Show InChI InChI=1/C21H24F3NO4/c1-11(2)10-29-20(27)17-13(4)25-12(3)16(19(26)28-5)18(17)14-7-6-8-15(9-14)21(22,23)24/h6-9,11,18,26H,10H2,1-5H3/b19-16+
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n/an/a 0.140n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to guinea pig ileal longitudinal smooth muscle


J Med Chem 31: 300-5 (1988)


Article DOI: 10.1021/jm00397a005
BindingDB Entry DOI: 10.7270/Q2GM89HN
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226726
PNG
(CHEMBL27770)
Show SMILES CCCSc1ncc(CO)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C22H24N2O4S/c1-2-11-29-22-23-12-18(14-25)24(22)13-16-7-9-19(10-8-16)28-15-17-5-3-4-6-20(17)21(26)27/h3-10,12,25H,2,11,13-15H2,1H3,(H,26,27)
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n/an/a 5.90E+3n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
BindingDB Entry DOI: 10.7270/Q2PV6NMN
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50227239
PNG
(TRIMETHADIONE | Tridione | Trimethadione | Troxido...)
Show SMILES CN1C(=O)OC(C)(C)C1=O
Show InChI InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3
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n/an/an/a>2.00E+6n/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 by surface plasmon resonance spectrometry


J Med Chem 60: 7333-7349 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00606
BindingDB Entry DOI: 10.7270/Q28W3GFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226729
PNG
(CHEMBL280530)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-7-20-24-21(23)19(14-26)25(20)13-15-8-10-16(11-9-15)17-5-4-6-18(12-17)22(27)28/h4-6,8-12,26H,2-3,7,13-14H2,1H3,(H,27,28)
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n/an/a 490n/an/an/an/an/an/a



E. I. du Pont de Nemours& Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]angiotensin II binding to angiotensin II receptor of rat adrenal cortical membrane


J Med Chem 34: 2525-47 (1991)


Article DOI: 10.1021/jm00112a031
BindingDB Entry DOI: 10.7270/Q2QN690P
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50227239
PNG
(TRIMETHADIONE | Tridione | Trimethadione | Troxido...)
Show SMILES CN1C(=O)OC(C)(C)C1=O
Show InChI InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-BTX-B binding to sodium channels in rat brain synapto-neurosomes


J Med Chem 31: 2218-21 (1988)


Article DOI: 10.1021/jm00119a025
BindingDB Entry DOI: 10.7270/Q2MC927C
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50227240
PNG
(CHEMBL70727)
Show SMILES O=C1O[C@]2(CCCC[N@@]1C2=O)c1ccccc1
Show InChI InChI=1S/C13H13NO3/c15-11-13(10-6-2-1-3-7-10)8-4-5-9-14(11)12(16)17-13/h1-3,6-7H,4-5,8-9H2/t13-/m1/s1
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n/an/a 3.80E+5n/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-BTX-B binding to sodium channels in rat brain synapto-neurosomes


J Med Chem 31: 2218-21 (1988)


Article DOI: 10.1021/jm00119a025
BindingDB Entry DOI: 10.7270/Q2MC927C
More data for this
Ligand-Target Pair
L-type calcium channel alpha 1C/beta 2A


(Oryctolagus cuniculus)
BDBM50227241
PNG
(CHEMBL1202817)
Show SMILES Cl.CCCCN(CCCC)CCCOc1ccc(cc1)-c1cn2ccc(C)nc2n1
Show InChI InChI=1S/C24H34N4O.ClH/c1-4-6-14-27(15-7-5-2)16-8-18-29-22-11-9-21(10-12-22)23-19-28-17-13-20(3)25-24(28)26-23;/h9-13,17,19H,4-8,14-16,18H2,1-3H3;1H
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n/an/a 0n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.


J Med Chem 31: 2221-7 (1988)


Article DOI: 10.1021/jm00119a026
BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226729
PNG
(CHEMBL280530)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-7-20-24-21(23)19(14-26)25(20)13-15-8-10-16(11-9-15)17-5-4-6-18(12-17)22(27)28/h4-6,8-12,26H,2-3,7,13-14H2,1H3,(H,27,28)
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n/an/a 490n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
BindingDB Entry DOI: 10.7270/Q2PV6NMN
More data for this
Ligand-Target Pair