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32 similar compounds to monomer 50190142

Compile data set for download or QSAR
Wt: 668.9
BDBM50190123
Wt: 379.4
BDBM50190117
Wt: 668.9
BDBM50190124
Wt: 495.6
BDBM50190168
Wt: 297.3
BDBM50190175
Wt: 456.4
BDBM50190176
Wt: 322.3
BDBM50190177
Wt: 491.9
BDBM50190159
Wt: 421.4
BDBM50190136
Wt: 801.0
BDBM50190126
Wt: 409.4
BDBM50189296
Wt: 490.5
BDBM50189324
Wt: 476.5
BDBM50189328
Wt: 476.5
BDBM50189329
Wt: 479.6
BDBM50190156
Displayed 1 to 15 (of 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50190123,50190117,50190124,50190168,50190175,50190176,50190177,50190159,50190136,50190126,50189296,50189324,50189328,50189329,50190156   
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


(Homo sapiens (Human))
BDBM50190136
PNG
(CHEMBL3827113)
Show SMILES COc1cc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2cc1OC
Show InChI InChI=1S/C18H19N3O5S2/c1-25-15-9-13-14(10-16(15)26-2)20-18(27)21(17(13)22)8-7-11-3-5-12(6-4-11)28(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,27)(H2,19,23,24)
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0.650n/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 2


(Homo sapiens (Human))
BDBM50190136
PNG
(CHEMBL3827113)
Show SMILES COc1cc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2cc1OC
Show InChI InChI=1S/C18H19N3O5S2/c1-25-15-9-13-14(10-16(15)26-2)20-18(27)21(17(13)22)8-7-11-3-5-12(6-4-11)28(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,27)(H2,19,23,24)
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1.10n/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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50190117
PNG
(CHEMBL3827274)
Show SMILES COC(=O)C[C@@H]1Cc2ccccc2[C@H](CN2CCC(CC2)c2ccccc2)O1
Show InChI InChI=1S/C24H29NO3/c1-27-24(26)16-21-15-20-9-5-6-10-22(20)23(28-21)17-25-13-11-19(12-14-25)18-7-3-2-4-8-18/h2-10,19,21,23H,11-17H2,1H3/t21-,23-/m0/s1
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673n/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 1


(Homo sapiens (Human))
BDBM50190136
PNG
(CHEMBL3827113)
Show SMILES COc1cc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2cc1OC
Show InChI InChI=1S/C18H19N3O5S2/c1-25-15-9-13-14(10-16(15)26-2)20-18(27)21(17(13)22)8-7-11-3-5-12(6-4-11)28(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,27)(H2,19,23,24)
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678n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50190177
PNG
(CHEMBL3828609)
Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccccc1
Show InChI InChI=1S/C18H18N4O2/c1-13-19-15-9-5-6-10-16(15)22(13)12-18(24)21-20-17(23)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,23)(H,21,24)
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n/an/a 105n/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
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50189296
PNG
(CHEMBL3827509)
Show SMILES COc1cc(\C=C\C(=O)c2cc(C(O)=O)c3c(C)cc(C)cn23)cc(OC)c1OC
Show InChI InChI=1S/C23H23NO6/c1-13-8-14(2)21-16(23(26)27)11-17(24(21)12-13)18(25)7-6-15-9-19(28-3)22(30-5)20(10-15)29-4/h6-12H,1-5H3,(H,26,27)/b7-6+
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n/an/a 1.59E+4n/an/an/an/an/an/a



'Alexandru Ioan Cuza' University of Iasi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant farnesyltransferase using farnesylpyrophosphate and dansyl-GCVLS as substrate measured for 15 mins by fluorescence as...


Bioorg Med Chem Lett 26: 3730-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.074
BindingDB Entry DOI: 10.7270/Q2DR2XFP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50189324
PNG
(CHEMBL3828696)
Show SMILES CCCCCCCNC(=O)Oc1ccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1
Show InChI InChI=1S/C27H30N4O5/c1-2-3-4-5-6-15-28-27(33)35-23-11-7-20(8-12-23)17-31-18-22(29-30-31)19-34-24-13-9-21-10-14-26(32)36-25(21)16-24/h7-14,16,18H,2-6,15,17,19H2,1H3,(H,28,33)
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n/an/a 214n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50189328
PNG
(CHEMBL3826998)
Show SMILES CCCCCCCNC(=O)Oc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C26H28N4O5/c1-2-3-4-5-6-15-27-26(32)34-22-12-9-21(10-13-22)30-17-20(28-29-30)18-33-23-11-7-19-8-14-25(31)35-24(19)16-23/h7-14,16-17H,2-6,15,18H2,1H3,(H,27,32)
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n/an/a 1.58E+5n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50189329
PNG
(CHEMBL3828443)
Show SMILES CCCCCCCNC(=O)Oc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C26H28N4O5/c1-2-3-4-5-6-14-27-26(32)34-23-9-7-8-21(15-23)30-17-20(28-29-30)18-33-22-12-10-19-11-13-25(31)35-24(19)16-22/h7-13,15-17H,2-6,14,18H2,1H3,(H,27,32)
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n/an/a 702n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50189324
PNG
(CHEMBL3828696)
Show SMILES CCCCCCCNC(=O)Oc1ccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1
Show InChI InChI=1S/C27H30N4O5/c1-2-3-4-5-6-15-28-27(33)35-23-11-7-20(8-12-23)17-31-18-22(29-30-31)19-34-24-13-9-21-10-14-26(32)36-25(21)16-24/h7-14,16,18H,2-6,15,17,19H2,1H3,(H,28,33)
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n/an/a 16n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50189328
PNG
(CHEMBL3826998)
Show SMILES CCCCCCCNC(=O)Oc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C26H28N4O5/c1-2-3-4-5-6-15-27-26(32)34-22-12-9-21(10-13-22)30-17-20(28-29-30)18-33-23-11-7-19-8-14-25(31)35-24(19)16-23/h7-14,16-17H,2-6,15,18H2,1H3,(H,27,32)
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n/an/a 1.22E+5n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50189329
PNG
(CHEMBL3828443)
Show SMILES CCCCCCCNC(=O)Oc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C26H28N4O5/c1-2-3-4-5-6-14-27-26(32)34-23-9-7-8-21(15-23)30-17-20(28-29-30)18-33-22-12-10-19-11-13-25(31)35-24(19)16-22/h7-13,15-17H,2-6,14,18H2,1H3,(H,27,32)
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n/an/a 71n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189324
PNG
(CHEMBL3828696)
Show SMILES CCCCCCCNC(=O)Oc1ccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1
Show InChI InChI=1S/C27H30N4O5/c1-2-3-4-5-6-15-28-27(33)35-23-11-7-20(8-12-23)17-31-18-22(29-30-31)19-34-24-13-9-21-10-14-26(32)36-25(21)16-24/h7-14,16,18H,2-6,15,17,19H2,1H3,(H,28,33)
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n/an/a 354n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate incubated for 30 mins by scintillation counting method


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189328
PNG
(CHEMBL3826998)
Show SMILES CCCCCCCNC(=O)Oc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C26H28N4O5/c1-2-3-4-5-6-15-27-26(32)34-22-12-9-21(10-13-22)30-17-20(28-29-30)18-33-23-11-7-19-8-14-25(31)35-24(19)16-23/h7-14,16-17H,2-6,15,18H2,1H3,(H,27,32)
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n/an/a 167n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate incubated for 30 mins by scintillation counting method


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189329
PNG
(CHEMBL3828443)
Show SMILES CCCCCCCNC(=O)Oc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C26H28N4O5/c1-2-3-4-5-6-14-27-26(32)34-23-9-7-8-21(15-23)30-17-20(28-29-30)18-33-22-12-10-19-11-13-25(31)35-24(19)16-22/h7-13,15-17H,2-6,14,18H2,1H3,(H,27,32)
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n/an/a 62n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate incubated for 30 mins by scintillation counting method


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189324
PNG
(CHEMBL3828696)
Show SMILES CCCCCCCNC(=O)Oc1ccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1
Show InChI InChI=1S/C27H30N4O5/c1-2-3-4-5-6-15-28-27(33)35-23-11-7-20(8-12-23)17-31-18-22(29-30-31)19-34-24-13-9-21-10-14-26(32)36-25(21)16-24/h7-14,16,18H,2-6,15,17,19H2,1H3,(H,28,33)
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n/an/a 55n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189328
PNG
(CHEMBL3826998)
Show SMILES CCCCCCCNC(=O)Oc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C26H28N4O5/c1-2-3-4-5-6-15-27-26(32)34-22-12-9-21(10-13-22)30-17-20(28-29-30)18-33-23-11-7-19-8-14-25(31)35-24(19)16-23/h7-14,16-17H,2-6,15,18H2,1H3,(H,27,32)
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n/an/a 21n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189329
PNG
(CHEMBL3828443)
Show SMILES CCCCCCCNC(=O)Oc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C26H28N4O5/c1-2-3-4-5-6-14-27-26(32)34-23-9-7-8-21(15-23)30-17-20(28-29-30)18-33-22-12-10-19-11-13-25(31)35-24(19)16-22/h7-13,15-17H,2-6,14,18H2,1H3,(H,27,32)
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n/an/a 16n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190123
PNG
(CHEMBL3828445)
Show SMILES CC(C)=CCC\C(C)=C\C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C3=C2OC2C=C(O)C(=O)C=C2C3=O)[C@@]1(C)CCC=C(C)C
Show InChI InChI=1S/C43H56O6/c1-26(2)13-11-15-30(9)16-17-31-25-42(21-18-28(5)6)39-36(37(46)32-23-33(44)34(45)24-35(32)49-39)38(47)43(40(42)48,22-19-29(7)8)41(31,10)20-12-14-27(3)4/h13-14,16,18-19,23-24,31,35,45H,11-12,15,17,20-22,25H2,1-10H3/b30-16+/t31-,35?,41+,42+,43-/m1/s1
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n/an/a 1.20E+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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190124
PNG
(CHEMBL3828522)
Show SMILES CC(C)=CCC\C(C)=C\C[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(OC4C=C(O)C(=O)C=C4C3=O)[C@](CC=C(C)C)(C2=O)[C@@]1(C)CCC=C(C)C
Show InChI InChI=1S/C43H56O6/c1-26(2)13-11-15-30(9)16-17-31-25-42(21-18-28(5)6)38(47)36-37(46)32-23-33(44)34(45)24-35(32)49-39(36)43(40(42)48,22-19-29(7)8)41(31,10)20-12-14-27(3)4/h13-14,16,18-19,23-24,31,35,45H,11-12,15,17,20-22,25H2,1-10H3/b30-16+/t31-,35?,41+,42+,43-/m1/s1
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n/an/a 6.73E+3n/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190126
PNG
(CHEMBL3828090)
Show SMILES COC(=O)COc1cc(ccc1OCC(O)=O)C(=O)C1=C(O)[C@]2(CC=C(C)C)C[C@@H](C\C=C(/C)CCC=C(C)C)[C@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C1=O)C2=O
Show InChI InChI=1S/C48H64O10/c1-30(2)14-12-16-34(9)17-19-36-27-47(24-21-32(5)6)43(53)41(42(52)35-18-20-37(57-28-39(49)50)38(26-35)58-29-40(51)56-11)44(54)48(45(47)55,25-22-33(7)8)46(36,10)23-13-15-31(3)4/h14-15,17-18,20-22,26,36,53H,12-13,16,19,23-25,27-29H2,1-11H3,(H,49,50)/b34-17+/t36-,46+,47+,48-/m1/s1
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n/an/a 2.60E+3n/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))
BDBM50190176
PNG
(CHEMBL3828240)
Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)CCC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N4O4/c1-18-27-22-9-5-6-10-23(22)30(18)17-26(33)29-28-25(32)16-15-24(31)19-11-13-21(14-12-19)34-20-7-3-2-4-8-20/h2-14H,15-17H2,1H3,(H,28,32)(H,29,33)
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n/an/a 80n/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))
BDBM50190175
PNG
(CHEMBL3828624)
Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc[nH]1
Show InChI InChI=1S/C15H15N5O2/c1-10-17-11-5-2-3-7-13(11)20(10)9-14(21)18-19-15(22)12-6-4-8-16-12/h2-8,16H,9H2,1H3,(H,18,21)(H,19,22)
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n/an/a 124n/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))
BDBM50190156
PNG
(CHEMBL3828154)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)CC1Cc2ccccc2C1)c1ccc(C)c2O[C@H]3[C@@H]([C@H]3c12)C(O)=O
Show InChI InChI=1S/C29H37NO5/c1-16-9-10-22(23-24-25(28(32)33)27(24)35-26(16)23)17(2)34-15-21(31)14-30-29(3,4)13-18-11-19-7-5-6-8-20(19)12-18/h5-10,17-18,21,24-25,27,30-31H,11-15H2,1-4H3,(H,32,33)/t17-,21-,24-,25-,27-/m1/s1
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n/an/a 46n/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
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50190159
PNG
(CHEMBL3827356)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccc(C)c2O[C@H]3[C@@H]([C@H]3c12)C(O)=O
Show InChI InChI=1S/C26H31ClFNO5/c1-13-5-7-17(20-21-22(25(31)32)24(21)34-23(13)20)14(2)33-12-16(30)11-29-26(3,4)10-15-6-8-18(27)19(28)9-15/h5-9,14,16,21-22,24,29-30H,10-12H2,1-4H3,(H,31,32)/t14-,16-,21-,22-,24-/m1/s1
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n/an/a 77n/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
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50190168
PNG
(CHEMBL3827304)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2sccc2c1)c1ccc(C)c2O[C@@H]3[C@H]([C@@H]3c12)C(O)=O
Show InChI InChI=1S/C28H33NO5S/c1-15-5-7-20(22-23-24(27(31)32)26(23)34-25(15)22)16(2)33-14-19(30)13-29-28(3,4)12-17-6-8-21-18(11-17)9-10-35-21/h5-11,16,19,23-24,26,29-30H,12-14H2,1-4H3,(H,31,32)/t16-,19-,23+,24+,26+/m1/s1
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n/an/a 9.60n/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