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16 similar compounds to monomer 50190147

Compile data set for download or QSAR
Wt: 303.3
BDBM50190116
Wt: 361.3
BDBM50190179
Wt: 504.0
BDBM50190148
Wt: 167.1
BDBM50190109
Wt: 361.3
BDBM50190111
Wt: 377.3
BDBM50190112
Wt: 391.4
BDBM50190113
Wt: 497.5
BDBM50190162
Wt: 347.3
BDBM50190174
Wt: 487.3
BDBM50190144
Wt: 391.4
BDBM50190135
Wt: 712.9
BDBM50190130
Wt: 754.9
BDBM50190129
Wt: 365.5
BDBM50190115
Wt: 375.4
BDBM50190140
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50190116,50190179,50190148,50190109,50190111,50190112,50190113,50190162,50190174,50190144,50190135,50190130,50190129,50190115,50190140   
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))
BDBM50190144
PNG
(CHEMBL3828520)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(I)cc3c2=O)cc1
Show InChI InChI=1S/C16H14IN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23)
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0.710n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50190144
PNG
(CHEMBL3828520)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(I)cc3c2=O)cc1
Show InChI InChI=1S/C16H14IN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23)
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0.760n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50190140
PNG
(CHEMBL3827381)
Show SMILES Cc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C17H17N3O3S2/c1-11-2-7-15-14(10-11)16(21)20(17(24)19-15)9-8-12-3-5-13(6-4-12)25(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,24)(H2,18,22,23)
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5.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50190135
PNG
(CHEMBL3828573)
Show SMILES COc1cccc2c1nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C17H17N3O4S2/c1-24-14-4-2-3-13-15(14)19-17(25)20(16(13)21)10-9-11-5-7-12(8-6-11)26(18,22)23/h2-8H,9-10H2,1H3,(H,19,25)(H2,18,22,23)
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5.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50190115
PNG
(CHEMBL3828326)
Show SMILES OCCC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C24H31NO2/c26-18-12-22-19-21-10-4-5-11-23(21)24(27-22)13-16-25(17-14-24)15-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-11,22,26H,6,9,12-19H2
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20n/an/an/an/an/an/an/an/a



Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 2 hrs by scintillation counting


Bioorg Med Chem 24: 4045-4055 (2016)


Article DOI: 10.1016/j.bmc.2016.06.046
BindingDB Entry DOI: 10.7270/Q2Q2425D
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50190135
PNG
(CHEMBL3828573)
Show SMILES COc1cccc2c1nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C17H17N3O4S2/c1-24-14-4-2-3-13-15(14)19-17(25)20(16(13)21)10-9-11-5-7-12(8-6-11)26(18,22)23/h2-8H,9-10H2,1H3,(H,19,25)(H2,18,22,23)
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32n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50190144
PNG
(CHEMBL3828520)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(I)cc3c2=O)cc1
Show InChI InChI=1S/C16H14IN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23)
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34n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50190135
PNG
(CHEMBL3828573)
Show SMILES COc1cccc2c1nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C17H17N3O4S2/c1-24-14-4-2-3-13-15(14)19-17(25)20(16(13)21)10-9-11-5-7-12(8-6-11)26(18,22)23/h2-8H,9-10H2,1H3,(H,19,25)(H2,18,22,23)
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42n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50190140
PNG
(CHEMBL3827381)
Show SMILES Cc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C17H17N3O3S2/c1-11-2-7-15-14(10-11)16(21)20(17(24)19-15)9-8-12-3-5-13(6-4-12)25(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,24)(H2,18,22,23)
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56n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50190140
PNG
(CHEMBL3827381)
Show SMILES Cc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C17H17N3O3S2/c1-11-2-7-15-14(10-11)16(21)20(17(24)19-15)9-8-12-3-5-13(6-4-12)25(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,24)(H2,18,22,23)
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296n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50190111
PNG
(CHEMBL327844)
Show SMILES NC(CCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)
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350n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human ERAP2 preincubated for 30 to 60 mins followed by addition of Arg-AMC as substrate measured for 15 mins by spectrofluorimetric met...


Bioorg Med Chem Lett 26: 4122-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.062
BindingDB Entry DOI: 10.7270/Q2TT4SW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50190116
PNG
(CHEMBL3828277)
Show SMILES COC(=O)C[C@@H]1Cc2ccccc2[C@H](CN2CCCCC2)O1
Show InChI InChI=1S/C18H25NO3/c1-21-18(20)12-15-11-14-7-3-4-8-16(14)17(22-15)13-19-9-5-2-6-10-19/h3-4,7-8,15,17H,2,5-6,9-13H2,1H3/t15-,17-/m0/s1
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510n/an/an/an/an/an/an/an/a



Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 2 hrs by scintillation counting


Bioorg Med Chem 24: 4045-4055 (2016)


Article DOI: 10.1016/j.bmc.2016.06.046
BindingDB Entry DOI: 10.7270/Q2Q2425D
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50190112
PNG
(CHEMBL88808)
Show SMILES NC(CCc1ccccc1)P(O)(=O)CC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C19H24NO5P/c20-18(11-8-14-4-2-1-3-5-14)26(24,25)13-16(19(22)23)12-15-6-9-17(21)10-7-15/h1-7,9-10,16,18,21H,8,11-13,20H2,(H,22,23)(H,24,25)
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1.04E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human ERAP2 preincubated for 30 to 60 mins followed by addition of Arg-AMC as substrate measured for 15 mins by spectrofluorimetric met...


Bioorg Med Chem Lett 26: 4122-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.062
BindingDB Entry DOI: 10.7270/Q2TT4SW1
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50190113
PNG
(CHEMBL3828715)
Show SMILES NCc1ccc(CC(CP(O)(=O)C(N)CCc2ccncc2)C(O)=O)cc1
Show InChI InChI=1S/C19H26N3O4P/c20-12-16-3-1-15(2-4-16)11-17(19(23)24)13-27(25,26)18(21)6-5-14-7-9-22-10-8-14/h1-4,7-10,17-18H,5-6,11-13,20-21H2,(H,23,24)(H,25,26)
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1.52E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human ERAP1 preincubated for 30 to 60 mins followed by addition of Leu-AMC as substrate measured for 15 mins by spectrofluorimetric met...


Bioorg Med Chem Lett 26: 4122-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.062
BindingDB Entry DOI: 10.7270/Q2TT4SW1
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50190109
PNG
(LEUCINE PHOSPHONIC ACID | Leucine Phosphonic acid)
Show SMILES CC(C)C[C@H](N)P(O)(O)=O
Show InChI InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m1/s1
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5.08E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERAP1 using L-AMC as substrate measured for 15 to 30 mins by fluorescence analysis


Bioorg Med Chem Lett 26: 4122-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.062
BindingDB Entry DOI: 10.7270/Q2TT4SW1
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50190112
PNG
(CHEMBL88808)
Show SMILES NC(CCc1ccccc1)P(O)(=O)CC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C19H24NO5P/c20-18(11-8-14-4-2-1-3-5-14)26(24,25)13-16(19(22)23)12-15-6-9-17(21)10-7-15/h1-7,9-10,16,18,21H,8,11-13,20H2,(H,22,23)(H,24,25)
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6.47E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERAP1 using L-AMC as substrate measured for 15 to 30 mins by fluorescence analysis


Bioorg Med Chem Lett 26: 4122-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.062
BindingDB Entry DOI: 10.7270/Q2TT4SW1
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50190111
PNG
(CHEMBL327844)
Show SMILES NC(CCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)
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1.91E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human ERAP1 preincubated for 30 to 60 mins followed by addition of Leu-AMC as substrate measured for 15 mins by spectrofluorimetric met...


Bioorg Med Chem Lett 26: 4122-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.062
BindingDB Entry DOI: 10.7270/Q2TT4SW1
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50190113
PNG
(CHEMBL3828715)
Show SMILES NCc1ccc(CC(CP(O)(=O)C(N)CCc2ccncc2)C(O)=O)cc1
Show InChI InChI=1S/C19H26N3O4P/c20-12-16-3-1-15(2-4-16)11-17(19(23)24)13-27(25,26)18(21)6-5-14-7-9-22-10-8-14/h1-4,7-10,17-18H,5-6,11-13,20-21H2,(H,23,24)(H,25,26)
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6.52E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human ERAP2 preincubated for 30 to 60 mins followed by addition of Arg-AMC as substrate measured for 15 mins by spectrofluorimetric met...


Bioorg Med Chem Lett 26: 4122-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.062
BindingDB Entry DOI: 10.7270/Q2TT4SW1
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50190109
PNG
(LEUCINE PHOSPHONIC ACID | Leucine Phosphonic acid)
Show SMILES CC(C)C[C@H](N)P(O)(O)=O
Show InChI InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m1/s1
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>2.50E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human ERAP2 preincubated for 30 to 60 mins followed by addition of Arg-AMC as substrate measured for 15 mins by spectrofluorimetric met...


Bioorg Med Chem Lett 26: 4122-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.062
BindingDB Entry DOI: 10.7270/Q2TT4SW1
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50190148
PNG
(CHEMBL3828187)
Show SMILES COc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccc(C)c3O[C@@H]4[C@H]([C@@H]4c23)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C27H34ClNO6/c1-14-6-9-19(21-22-23(26(31)32)25(22)35-24(14)21)15(2)34-13-17(30)12-29-27(3,4)11-16-7-8-18(33-5)10-20(16)28/h6-10,15,17,22-23,25,29-30H,11-13H2,1-5H3,(H,31,32)/t15-,17-,22+,23+,25+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.073
BindingDB Entry DOI: 10.7270/Q29S1SZS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190130
PNG
(CHEMBL3827525)
Show SMILES CC(C)=CCC\C(C)=C\C[C@@H]1C[C@@]2(CC=C(C)C)C(O)=C(C(=O)c3ccc(O)c(OC(C)=O)c3)C(=O)[C@](CC=C(C)C)(C2=O)[C@@]1(C)CCC=C(C)C
Show InChI InChI=1S/C45H60O7/c1-28(2)14-12-16-32(9)17-19-35-27-44(24-21-30(5)6)40(49)38(39(48)34-18-20-36(47)37(26-34)52-33(10)46)41(50)45(42(44)51,25-22-31(7)8)43(35,11)23-13-15-29(3)4/h14-15,17-18,20-22,26,35,47,49H,12-13,16,19,23-25,27H2,1-11H3/b32-17+/t35-,43+,44+,45-/m1/s1
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n/an/a 1.18E+4n/an/an/an/an/an/a



Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) by caliper mobility shift assay


Bioorg Med Chem 24: 4120-4128 (2016)


Article DOI: 10.1016/j.bmc.2016.06.054
BindingDB Entry DOI: 10.7270/Q2K939FP
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50190179
PNG
(CHEMBL3828098)
Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1cc2ccccc2[nH]1
Show InChI InChI=1S/C20H19N5O2/c1-13-21-17-8-4-5-9-18(17)25(13)12-20(27)24-23-19(26)11-15-10-14-6-2-3-7-16(14)22-15/h2-10,22H,11-12H2,1H3,(H,23,26)(H,24,27)
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n/an/a 135n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50190174
PNG
(CHEMBL3827726)
Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H17N5O2/c1-12-21-16-8-4-5-9-17(16)24(12)11-18(25)22-23-19(26)14-10-20-15-7-3-2-6-13(14)15/h2-10,20H,11H2,1H3,(H,22,25)(H,23,26)
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n/an/a 148n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50190162
PNG
(CHEMBL3827475)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2OCCOc2c1)c1ccc(C)c2O[C@@H]3[C@H]([C@@H]3c12)C(O)=O
Show InChI InChI=1S/C28H35NO7/c1-15-5-7-19(22-23-24(27(31)32)26(23)36-25(15)22)16(2)35-14-18(30)13-29-28(3,4)12-17-6-8-20-21(11-17)34-10-9-33-20/h5-8,11,16,18,23-24,26,29-30H,9-10,12-14H2,1-4H3,(H,31,32)/t16-,18-,23+,24+,26+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.073
BindingDB Entry DOI: 10.7270/Q29S1SZS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190129
PNG
(CHEMBL3828170)
Show SMILES CC(C)=CCC\C(C)=C\C[C@@H]1C[C@@]2(CC=C(C)C)C(O)=C(C(=O)c3ccc(OC(C)=O)c(OC(C)=O)c3)C(=O)[C@](CC=C(C)C)(C2=O)[C@@]1(C)CCC=C(C)C
Show InChI InChI=1S/C47H62O8/c1-29(2)15-13-17-33(9)18-20-37-28-46(25-22-31(5)6)42(51)40(41(50)36-19-21-38(54-34(10)48)39(27-36)55-35(11)49)43(52)47(44(46)53,26-23-32(7)8)45(37,12)24-14-16-30(3)4/h15-16,18-19,21-23,27,37,51H,13-14,17,20,24-26,28H2,1-12H3/b33-18+/t37-,45+,46+,47-/m1/s1
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n/an/a 1.89E+4n/an/an/an/an/an/a



Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) by caliper mobility shift assay


Bioorg Med Chem 24: 4120-4128 (2016)


Article DOI: 10.1016/j.bmc.2016.06.054
BindingDB Entry DOI: 10.7270/Q2K939FP
More data for this
Ligand-Target Pair