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24 similar compounds to monomer 50158858

Wt: 362.8
BDBM2482
Wt: 491.5
BDBM50150242
Wt: 353.4
BDBM50187491
Wt: 417.4
BDBM50187494
Wt: 513.5
BDBM50158894
Wt: 404.5
BDBM50158867
Wt: 330.3
BDBM50187463
Wt: 558.7
BDBM50187464
Wt: 458.5
BDBM50187497
Wt: 424.5
BDBM50187500
Wt: 520.5
BDBM50158893
Wt: 458.5
BDBM50187460
Wt: 376.4
BDBM50187469
Wt: 466.6
BDBM50187483
Wt: 397.8
BDBM50187505
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 2482,50150242,50187491,50187494,50158894,50158867,50187463,50187464,50187497,50187500,50158893,50187460,50187469,50187483,50187505   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50150242
PNG
(CHEMBL3769655)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(cc3)S(N)(=O)=O)c(Nc3ccccc3)c2C1=O
Show InChI InChI=1S/C24H25N7O3S/c1-29-23(32)20-21(26-16-6-3-2-4-7-16)30(14-15-10-12-17(13-11-15)35(25,33)34)28-22(20)31-19-9-5-8-18(19)27-24(29)31/h2-4,6-7,10-13,18-19,26H,5,8-9,14H2,1H3,(H2,25,33,34)/t18-,19+/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE4A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50187491
PNG
(CHEMBL3827461)
Show SMILES CCOc1cc(\C=C2\SC(=S)N(CCC(O)=O)C2=O)ccc1O
Show InChI InChI=1S/C15H15NO5S2/c1-2-21-11-7-9(3-4-10(11)17)8-12-14(20)16(15(22)23-12)6-5-13(18)19/h3-4,7-8,17H,2,5-6H2,1H3,(H,18,19)/b12-8+
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2.50E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from His6-tagged FABP4 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50187494
PNG
(CHEMBL3827401)
Show SMILES Cc1ccc(cc1C)\N=C1\NC(=O)\C(S1)=C\c1cccn1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C23H19N3O3S/c1-14-8-9-17(11-15(14)2)24-23-25-21(27)20(30-23)13-19-7-4-10-26(19)18-6-3-5-16(12-18)22(28)29/h3-13H,1-2H3,(H,28,29)(H,24,25,27)/b20-13-
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3.60E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from His6-tagged FABP4 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50158867
PNG
(CHEMBL3787038)
Show SMILES COC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(CC1)S(=O)(=O)c1ccn(C)n1
Show InChI InChI=1S/C20H28N4O3S/c1-23-11-8-19(22-23)28(25,26)24-12-9-20(27-2,10-13-24)15-21-18-14-17(18)16-6-4-3-5-7-16/h3-8,11,17-18,21H,9-10,12-15H2,1-2H3/t17-,18+/m0/s1
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A expressed in Escherichia coli using biotin-histone H3 as substrate preincubated for 1 hr followed by substrate ...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50158893
PNG
(CHEMBL3786990)
Show SMILES Cn1nccc1-c1cc(ccc1C1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O3S2/c1-30-20(6-8-28-30)19-12-14(23(24,25)26)2-4-16(19)17-7-10-33-21-13-15(3-5-18(17)21)35(31,32)29-22-27-9-11-34-22/h2-6,8-9,11-13,17H,7,10H2,1H3,(H,27,29)
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n/an/a 4n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50158894
PNG
(CHEMBL3786756)
Show SMILES FC(F)(F)c1ccc(C2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C1(F)CNC1
Show InChI InChI=1S/C22H19F4N3O3S2/c23-21(11-27-12-21)18-9-13(22(24,25)26)1-3-16(18)15-5-7-32-19-10-14(2-4-17(15)19)34(30,31)29-20-28-6-8-33-20/h1-4,6,8-10,15,27H,5,7,11-12H2,(H,28,29)
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n/an/a 2n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratr...


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50187460
PNG
(CHEMBL3828359)
Show SMILES CNC(=O)C(NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C25H35N2O4P/c1-25(2,3)22(24(29)26-4)27-23(28)21(16-15-19-11-7-5-8-12-19)18-32(30,31)17-20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)
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n/an/a 110n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 by colorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50187460
PNG
(CHEMBL3828359)
Show SMILES CNC(=O)C(NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C25H35N2O4P/c1-25(2,3)22(24(29)26-4)27-23(28)21(16-15-19-11-7-5-8-12-19)18-32(30,31)17-20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)
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n/an/a 110n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 by colorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50187463
PNG
(CHEMBL3828338)
Show SMILES ONC(=O)C1CC(C(=O)N1)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H15FN2O4/c18-11-3-7-13(8-4-11)24-12-5-1-10(2-6-12)14-9-15(17(22)20-23)19-16(14)21/h1-8,14-15,23H,9H2,(H,19,21)(H,20,22)
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n/an/a 39n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 by colorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50187464
PNG
(CHEMBL3828068)
Show SMILES COC(NC(=O)C(NC(=O)C(CCCc1ccc(c(C)c1)-c1ccccc1)CC(O)=O)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C34H42N2O5/c1-23-21-24(19-20-28(23)25-14-8-6-9-15-25)13-12-18-27(22-29(37)38)31(39)35-30(34(2,3)4)32(40)36-33(41-5)26-16-10-7-11-17-26/h6-11,14-17,19-21,27,30,33H,12-13,18,22H2,1-5H3,(H,35,39)(H,36,40)(H,37,38)
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n/an/a 3.42E+4n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 by colorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50187469
PNG
(CHEMBL3828088)
Show SMILES CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C18H20N2O5S/c1-19-17(21)12-11-16(18(22)23)20-26(24,25)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16,20H,11-12H2,1H3,(H,19,21)(H,22,23)/t16-/m0/s1
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n/an/a 3.84E+4n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 by colorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50187469
PNG
(CHEMBL3828088)
Show SMILES CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C18H20N2O5S/c1-19-17(21)12-11-16(18(22)23)20-26(24,25)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16,20H,11-12H2,1H3,(H,19,21)(H,22,23)/t16-/m0/s1
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n/an/a 843n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 by colorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50187483
PNG
(CHEMBL3828457)
Show SMILES CC(C)(C)C(NC(=O)C(CCCc1ccccc1)CC(O)=O)C(=O)NC(C)(C)c1ccccc1
Show InChI InChI=1S/C28H38N2O4/c1-27(2,3)24(26(34)30-28(4,5)22-17-10-7-11-18-22)29-25(33)21(19-23(31)32)16-12-15-20-13-8-6-9-14-20/h6-11,13-14,17-18,21,24H,12,15-16,19H2,1-5H3,(H,29,33)(H,30,34)(H,31,32)
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n/an/a 280n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 by colorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50187483
PNG
(CHEMBL3828457)
Show SMILES CC(C)(C)C(NC(=O)C(CCCc1ccccc1)CC(O)=O)C(=O)NC(C)(C)c1ccccc1
Show InChI InChI=1S/C28H38N2O4/c1-27(2,3)24(26(34)30-28(4,5)22-17-10-7-11-18-22)29-25(33)21(19-23(31)32)16-12-15-20-13-8-6-9-14-20/h6-11,13-14,17-18,21,24H,12,15-16,19H2,1-5H3,(H,29,33)(H,30,34)(H,31,32)
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n/an/a 280n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 by colorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50187463
PNG
(CHEMBL3828338)
Show SMILES ONC(=O)C1CC(C(=O)N1)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H15FN2O4/c18-11-3-7-13(8-4-11)24-12-5-1-10(2-6-12)14-9-15(17(22)20-23)19-16(14)21/h1-8,14-15,23H,9H2,(H,19,21)(H,20,22)
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n/an/a 39n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 by colorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50187464
PNG
(CHEMBL3828068)
Show SMILES COC(NC(=O)C(NC(=O)C(CCCc1ccc(c(C)c1)-c1ccccc1)CC(O)=O)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C34H42N2O5/c1-23-21-24(19-20-28(23)25-14-8-6-9-15-25)13-12-18-27(22-29(37)38)31(39)35-30(34(2,3)4)32(40)36-33(41-5)26-16-10-7-11-17-26/h6-11,14-17,19-21,27,30,33H,12-13,18,22H2,1-5H3,(H,35,39)(H,36,40)(H,37,38)
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n/an/a 3.42E+4n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 by colorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50187497
PNG
(CHEMBL3827864)
Show SMILES CCOC(=O)c1c2CCCCc2sc1\N=C1/SC(CC(O)=O)C(=O)N1c1ccccc1
Show InChI InChI=1S/C22H22N2O5S2/c1-2-29-21(28)18-14-10-6-7-11-15(14)30-19(18)23-22-24(13-8-4-3-5-9-13)20(27)16(31-22)12-17(25)26/h3-5,8-9,16H,2,6-7,10-12H2,1H3,(H,25,26)/b23-22-
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n/an/a 1.21E+5n/an/an/an/an/an/a



Federal University of Alagoas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry


Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50187500
PNG
(CHEMBL3828526)
Show SMILES CCOC(=O)c1c2CCCCc2sc1\N=c1/scc(-c2ccccc2)n1CC=C
Show InChI InChI=1S/C23H24N2O2S2/c1-3-14-25-18(16-10-6-5-7-11-16)15-28-23(25)24-21-20(22(26)27-4-2)17-12-8-9-13-19(17)29-21/h3,5-7,10-11,15H,1,4,8-9,12-14H2,2H3/b24-23-
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n/an/a 2.40E+3n/an/an/an/an/an/a



Federal University of Alagoas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50187505
PNG
(CHEMBL1332729)
Show SMILES CN(Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1)C(=O)CCC(O)=O
Show InChI InChI=1S/C21H20ClN3O3/c1-24(19(26)11-12-20(27)28)13-16-14-25(18-5-3-2-4-6-18)23-21(16)15-7-9-17(22)10-8-15/h2-10,14H,11-13H2,1H3,(H,27,28)
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n/an/a 200n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]Ang2 from human AT1 receptor expressed in HEK293 cell membrane incubated for 1 hr by gamma counting method


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2482
PNG
(5-Chloro-3-[(3,5-dimethylphenyl)sulfonyl]-1H-indol...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O
Show InChI InChI=1S/C17H15ClN2O3S/c1-9-5-10(2)7-12(6-9)24(22,23)16-13-8-11(18)3-4-14(13)20-15(16)17(19)21/h3-8,20H,1-2H3,(H2,19,21)
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PubMed
n/an/a 130n/an/an/an/a7.837



Universita degli Studi di Roma La Sapienza



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 46: 2482-93 (2003)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50187505
PNG
(CHEMBL1332729)
Show SMILES CN(Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1)C(=O)CCC(O)=O
Show InChI InChI=1S/C21H20ClN3O3/c1-24(19(26)11-12-20(27)28)13-16-14-25(18-5-3-2-4-6-18)23-21(16)15-7-9-17(22)10-8-15/h2-10,14H,11-13H2,1H3,(H,27,28)
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n/an/a 199n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]Ang2 from human AT1 receptor expressed in HEK293 cell membrane incubated for 1 hr by gamma counting method


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2482
PNG
(5-Chloro-3-[(3,5-dimethylphenyl)sulfonyl]-1H-indol...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O
Show InChI InChI=1S/C17H15ClN2O3S/c1-9-5-10(2)7-12(6-9)24(22,23)16-13-8-11(18)3-4-14(13)20-15(16)17(19)21/h3-8,20H,1-2H3,(H2,19,21)
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Article
PubMed
n/an/a 31n/an/an/an/a7.837



Universita degli Studi di Roma La Sapienza



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 46: 2482-93 (2003)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2482
PNG
(5-Chloro-3-[(3,5-dimethylphenyl)sulfonyl]-1H-indol...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O
Show InChI InChI=1S/C17H15ClN2O3S/c1-9-5-10(2)7-12(6-9)24(22,23)16-13-8-11(18)3-4-14(13)20-15(16)17(19)21/h3-8,20H,1-2H3,(H2,19,21)
PDB
MMDB

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.837



Universita degli Studi di Roma La Sapienza



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 46: 2482-93 (2003)

More data for this
Ligand-Target Pair