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8 similar compounds to monomer 50227249

Compile data set for download or QSAR
Wt: 277.3
BDBM50227237
Wt: 205.2
BDBM50227238
Wt: 377.8
BDBM50227254
Wt: 656.7
BDBM50227248
Wt: 482.4
BDBM50227251
Wt: 447.4
BDBM50226745
Wt: 502.4
BDBM50227247
Wt: 272.3
BDBM50226744

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50227237,50227238,50227254,50227248,50227251,50226745,50227247,50226744   
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50227247
PNG
(CHEMBL4073786)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)OCCCCc2ccc(cc2)N(CCCl)CCCl)cc1
Show InChI InChI=1S/C22H29Cl2N3O4S/c23-12-14-27(15-13-24)20-8-4-18(5-9-20)3-1-2-16-31-22(28)26-17-19-6-10-21(11-7-19)32(25,29)30/h4-11H,1-3,12-17H2,(H,26,28)(H2,25,29,30)
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265n/an/an/an/an/an/an/an/a



Maastricht University Medical Centre

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 691-702 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.037
BindingDB Entry DOI: 10.7270/Q2MK6G3G
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50227247
PNG
(CHEMBL4073786)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)OCCCCc2ccc(cc2)N(CCCl)CCCl)cc1
Show InChI InChI=1S/C22H29Cl2N3O4S/c23-12-14-27(15-13-24)20-8-4-18(5-9-20)3-1-2-16-31-22(28)26-17-19-6-10-21(11-7-19)32(25,29)30/h4-11H,1-3,12-17H2,(H,26,28)(H2,25,29,30)
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4.13E+3n/an/an/an/an/an/an/an/a



Maastricht University Medical Centre

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 691-702 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.037
BindingDB Entry DOI: 10.7270/Q2MK6G3G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50227247
PNG
(CHEMBL4073786)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)OCCCCc2ccc(cc2)N(CCCl)CCCl)cc1
Show InChI InChI=1S/C22H29Cl2N3O4S/c23-12-14-27(15-13-24)20-8-4-18(5-9-20)3-1-2-16-31-22(28)26-17-19-6-10-21(11-7-19)32(25,29)30/h4-11H,1-3,12-17H2,(H,26,28)(H2,25,29,30)
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6.14E+3n/an/an/an/an/an/an/an/a



Maastricht University Medical Centre

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 691-702 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.037
BindingDB Entry DOI: 10.7270/Q2MK6G3G
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50227247
PNG
(CHEMBL4073786)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)OCCCCc2ccc(cc2)N(CCCl)CCCl)cc1
Show InChI InChI=1S/C22H29Cl2N3O4S/c23-12-14-27(15-13-24)20-8-4-18(5-9-20)3-1-2-16-31-22(28)26-17-19-6-10-21(11-7-19)32(25,29)30/h4-11H,1-3,12-17H2,(H,26,28)(H2,25,29,30)
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9.57E+3n/an/an/an/an/an/an/an/a



Maastricht University Medical Centre

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 691-702 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.037
BindingDB Entry DOI: 10.7270/Q2MK6G3G
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50226745
PNG
(CHEMBL4073065)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NS(N)(=O)=O)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17N5O5S2/c1-29(25,26)14-9-7-12(8-10-14)15-11-20-17(23-30(19,27)28)16(22-15)18(24)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,23)(H,21,24)(H2,19,27,28)
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>5.00E+4n/an/an/an/an/an/an/an/a



Maastricht University Medical Centre

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 691-702 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.037
BindingDB Entry DOI: 10.7270/Q2MK6G3G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50226745
PNG
(CHEMBL4073065)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NS(N)(=O)=O)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17N5O5S2/c1-29(25,26)14-9-7-12(8-10-14)15-11-20-17(23-30(19,27)28)16(22-15)18(24)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,23)(H,21,24)(H2,19,27,28)
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>5.00E+4n/an/an/an/an/an/an/an/a



Maastricht University Medical Centre

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 691-702 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.037
BindingDB Entry DOI: 10.7270/Q2MK6G3G
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50226745
PNG
(CHEMBL4073065)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NS(N)(=O)=O)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17N5O5S2/c1-29(25,26)14-9-7-12(8-10-14)15-11-20-17(23-30(19,27)28)16(22-15)18(24)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,23)(H,21,24)(H2,19,27,28)
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>5.00E+4n/an/an/an/an/an/an/an/a



Maastricht University Medical Centre

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 691-702 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.037
BindingDB Entry DOI: 10.7270/Q2MK6G3G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50226745
PNG
(CHEMBL4073065)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NS(N)(=O)=O)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17N5O5S2/c1-29(25,26)14-9-7-12(8-10-14)15-11-20-17(23-30(19,27)28)16(22-15)18(24)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,23)(H,21,24)(H2,19,27,28)
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>5.00E+4n/an/an/an/an/an/an/an/a



Maastricht University Medical Centre

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 691-702 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.037
BindingDB Entry DOI: 10.7270/Q2MK6G3G
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227251
PNG
(CHEMBL1237329)
Show SMILES Cl.Cl.Fc1ccc(cc1)C1CC(N2CCN(CCN3CCOC3=O)CC2)c2ccccc12
Show InChI InChI=1/C24H28FN3O2.2ClH/c25-19-7-5-18(6-8-19)22-17-23(21-4-2-1-3-20(21)22)27-12-9-26(10-13-27)11-14-28-15-16-30-24(28)29;;/h1-8,22-23H,9-17H2;2*1H
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n/an/a 130n/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
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50227237
PNG
(CHEMBL305109)
Show SMILES CCOC(=O)N1CCCC(OC)(C1=O)c1ccccc1
Show InChI InChI=1/C15H19NO4/c1-3-20-14(18)16-11-7-10-15(19-2,13(16)17)12-8-5-4-6-9-12/h4-6,8-9H,3,7,10-11H2,1-2H3
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n/an/a 5.90E+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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227248
PNG
(CHEMBL1237321)
Show SMILES OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.Fc1ccc(cc1)C1CC(N2CCN(CCN3CCN=C3S)CC2)c2ccccc12
Show InChI InChI=1/C24H29FN4S.2C4H4O4/c25-19-7-5-18(6-8-19)22-17-23(21-4-2-1-3-20(21)22)28-14-11-27(12-15-28)13-16-29-10-9-26-24(29)30;2*5-3(6)1-2-4(7)8/h1-8,22-23H,9-17H2,(H,26,30);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
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n/an/a 3.30n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50226744
PNG
(CHEMBL4074409)
Show SMILES O=C(NCC1NCCc2ccccc12)C1CCCCC1
Show InChI InChI=1/C17H24N2O/c20-17(14-7-2-1-3-8-14)19-12-16-15-9-5-4-6-13(15)10-11-18-16/h4-6,9,14,16,18H,1-3,7-8,10-12H2,(H,19,20)
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n/an/an/an/a 6.38E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO-K1 cells co-expressing Galpha 15 assessed as increase in intracellular calcium release incubated for 1...


Eur J Med Chem 126: 202-217 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.003
BindingDB Entry DOI: 10.7270/Q2RB76TS
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50227254
PNG
(CHEMBL318521)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccc(Cl)cc1
Show InChI InChI=1/C20H24ClNO4/c1-11(2)10-26-20(24)17-13(4)22-12(3)16(19(23)25-5)18(17)14-6-8-15(21)9-7-14/h6-9,11,18,23H,10H2,1-5H3/b19-16+
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n/an/a 2.80n/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
Sodium channel protein type I I alpha subunit


(Rattus norvegicus)
BDBM50227238
PNG
(CHEMBL40727)
Show SMILES CCC1(OC(=O)NC1=O)c1ccccc1
Show InChI InChI=1/C11H11NO3/c1-2-11(8-6-4-3-5-7-8)9(13)12-10(14)15-11/h3-7H,2H2,1H3,(H,12,13,14)
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n/an/a>8.00E+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