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21 similar compounds to monomer 50158857

Compile data set for download or QSAR
Wt: 334.7
BDBM2278
Purchase
Wt: 318.7
BDBM2288
Wt: 302.7
BDBM2284
Wt: 348.8
BDBM2481
Purchase
Wt: 362.8
BDBM2482
Wt: 491.5
BDBM50150242
Wt: 1301.4
BDBM50158854
Wt: 513.5
BDBM50158894
Wt: 660.3
BDBM50158856
Wt: 404.5
BDBM50158867
Wt: 230.3
BDBM50158870
Wt: 551.5
BDBM50158891
Wt: 520.5
BDBM50158893
Wt: 522.5
BDBM50158895
Wt: 521.5
BDBM50158897
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 2278,2288,2284,2481,2482,50150242,50158854,50158894,50158856,50158867,50158870,50158891,50158893,50158895,50158897   
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


J Med Chem 59: 1149-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01751
BindingDB Entry DOI: 10.7270/Q2X068W7
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50158897
PNG
(CHEMBL3786105)
Show SMILES FC(F)(F)c1ccc(C2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C1=CCNCC1
Show InChI InChI=1S/C24H22F3N3O3S2/c25-24(26,27)16-1-3-18(21(13-16)15-5-8-28-9-6-15)19-7-11-33-22-14-17(2-4-20(19)22)35(31,32)30-23-29-10-12-34-23/h1-5,10,12-14,19,28H,6-9,11H2,(H,29,30)
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n/an/a 1n/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...


ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2288
PNG
(3-(benzenesulfinyl)-5-chloro-1H-indole-2-carboxami...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O2S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)21(20)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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n/an/a 23n/an/an/an/a8.2n/a



Merck Research Laboratories



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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2278
PNG
(3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxami...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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n/an/a 116n/an/an/an/a8.2n/a



Merck Research Laboratories



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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2284
PNG
(5-chloro-3-(phenylsulfanyl)-1H-indole-2-carboxamid...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1
Show InChI InChI=1S/C15H11ClN2OS/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)20-10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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n/an/a 1.46E+3n/an/an/an/a8.2n/a



Merck Research Laboratories



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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2288
PNG
(3-(benzenesulfinyl)-5-chloro-1H-indole-2-carboxami...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O2S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)21(20)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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n/an/a 2.76E+3n/an/an/an/a8.2n/a



Merck Research Laboratories



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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2278
PNG
(3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxami...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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n/an/a 71n/an/an/an/a8.2n/a



Merck Research Laboratories



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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2284
PNG
(5-chloro-3-(phenylsulfanyl)-1H-indole-2-carboxamid...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1
Show InChI InChI=1S/C15H11ClN2OS/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)20-10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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n/an/a 1.04E+3n/an/an/an/a8.2n/a



Merck Research Laboratories



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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2288
PNG
(3-(benzenesulfinyl)-5-chloro-1H-indole-2-carboxami...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O2S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)21(20)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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n/an/a 1.39E+3n/an/an/an/a8.2n/a



Merck Research Laboratories



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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2481
PNG
(5-Chloro-3-[(4-methylphenyl)sulfonyl]-1H-indole-2-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O
Show InChI InChI=1S/C16H13ClN2O3S/c1-9-2-5-11(6-3-9)23(21,22)15-12-8-10(17)4-7-13(12)19-14(15)16(18)20/h2-8,19H,1H3,(H2,18,20)
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n/an/a 72n/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)


Article DOI: 10.1021/jm0211063
BindingDB Entry DOI: 10.7270/Q2BP0101
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2481
PNG
(5-Chloro-3-[(4-methylphenyl)sulfonyl]-1H-indole-2-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O
Show InChI InChI=1S/C16H13ClN2O3S/c1-9-2-5-11(6-3-9)23(21,22)15-12-8-10(17)4-7-13(12)19-14(15)16(18)20/h2-8,19H,1H3,(H2,18,20)
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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)


Article DOI: 10.1021/jm0211063
BindingDB Entry DOI: 10.7270/Q2BP0101
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2481
PNG
(5-Chloro-3-[(4-methylphenyl)sulfonyl]-1H-indole-2-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O
Show InChI InChI=1S/C16H13ClN2O3S/c1-9-2-5-11(6-3-9)23(21,22)15-12-8-10(17)4-7-13(12)19-14(15)16(18)20/h2-8,19H,1H3,(H2,18,20)
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n/an/a 110n/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)


Article DOI: 10.1021/jm0211063
BindingDB Entry DOI: 10.7270/Q2BP0101
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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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)


Article DOI: 10.1021/jm0211063
BindingDB Entry DOI: 10.7270/Q2BP0101
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)
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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)


Article DOI: 10.1021/jm0211063
BindingDB Entry DOI: 10.7270/Q2BP0101
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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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)


Article DOI: 10.1021/jm0211063
BindingDB Entry DOI: 10.7270/Q2BP0101
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2278
PNG
(3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxami...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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n/an/a 25n/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)


Article DOI: 10.1021/jm0211063
BindingDB Entry DOI: 10.7270/Q2BP0101
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2278
PNG
(3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxami...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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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)


Article DOI: 10.1021/jm0211063
BindingDB Entry DOI: 10.7270/Q2BP0101
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2278
PNG
(3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxami...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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n/an/a 160n/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)


Article DOI: 10.1021/jm0211063
BindingDB Entry DOI: 10.7270/Q2BP0101
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50158854
PNG
(CHEMBL3785454)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC1=O)C(=O)NCC(=O)NCC(=O)NCC(N)=O)NC(=O)[C@H](C)N
Show InChI InChI=1S/C54H76N16O16S3/c1-27(56)46(78)69-40-26-89-88-25-39(49(81)61-23-43(74)60-22-42(73)59-21-41(57)72)70-52(84)36(17-29-10-12-31(71)13-11-29)64-44(75)24-62-48(80)38(19-45(76)77)67-47(79)28(2)63-50(82)35(14-16-87-3)66-53(85)37(18-30-20-58-33-8-5-4-7-32(30)33)68-51(83)34(9-6-15-55)65-54(40)86/h4-5,7-8,10-13,20,27-28,34-40,58,71H,6,9,14-19,21-26,55-56H2,1-3H3,(H2,57,72)(H,59,73)(H,60,74)(H,61,81)(H,62,80)(H,63,82)(H,64,75)(H,65,86)(H,66,85)(H,67,79)(H,68,83)(H,69,78)(H,70,84)(H,76,77)/t27-,28-,34-,35-,36-,37-,38-,39-,40-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged KDM4C (2 to 372 residues) expressed in baculovirus infected sf9 cells using H3K9me3 as substrate preincubat...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50158856
PNG
(CHEMBL3785643)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCCC[N+](C)(C)C)c(I)c1
Show InChI InChI=1S/C26H32I2NO3/c1-5-6-12-23-24(19-11-7-8-13-22(19)32-23)25(30)18-16-20(27)26(21(28)17-18)31-15-10-9-14-29(2,3)4/h7-8,11,13,16-17H,5-6,9-10,12,14-15H2,1-4H3/q+1
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged KDM5A PHD3 (1601 to 1660 residues) (unknown origin) using biotin-H3K4me3 ( 1 to 14 residues) peptide substrate b...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
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 ...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50158870
PNG
(CHEMBL3787230)
Show SMILES C(N[C@@H]1C[C@H]1c1ccccc1)C1CCNCC1
Show InChI InChI=1S/C15H22N2/c1-2-4-13(5-3-1)14-10-15(14)17-11-12-6-8-16-9-7-12/h1-5,12,14-17H,6-11H2/t14-,15+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged KDM1A (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS cells using biotin-H3K4me as subs...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50158870
PNG
(CHEMBL3787230)
Show SMILES C(N[C@@H]1C[C@H]1c1ccccc1)C1CCNCC1
Show InChI InChI=1S/C15H22N2/c1-2-4-13(5-3-1)14-10-15(14)17-11-12-6-8-16-9-7-12/h1-5,12,14-17H,6-11H2/t14-,15+/m0/s1
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n/an/a 7.90E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin) preincubated for 10 mins followed by substrate addition measured after 60 mins by MAO-Glo assay


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50158891
PNG
(CHEMBL3785194)
Show SMILES Fc1ccc(nc1)-c1cc(ccc1O[C@@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C24H17F4N3O4S2/c25-15-2-5-19(30-13-15)18-11-14(24(26,27)28)1-6-20(18)35-21-7-9-34-22-12-16(3-4-17(21)22)37(32,33)31-23-29-8-10-36-23/h1-6,8,10-13,21H,7,9H2,(H,29,31)/t21-/m1/s1
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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...


ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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...


ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(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...


ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50158895
PNG
(CHEMBL3787600)
Show SMILES FC(F)(F)c1ccc(C2CCOc3cc(ccc23)S(=O)(=O)Nc2nncs2)c(c1)C1=CCNCC1
Show InChI InChI=1S/C23H21F3N4O3S2/c24-23(25,26)15-1-3-17(20(11-15)14-5-8-27-9-6-14)18-7-10-33-21-12-16(2-4-19(18)21)35(31,32)30-22-29-28-13-34-22/h1-5,11-13,18,27H,6-10H2,(H,29,30)
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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...


ACS Med Chem Lett 6: 1168-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00421
BindingDB Entry DOI: 10.7270/Q2H133WN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2278
PNG
(3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxami...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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n/an/a 3n/an/an/an/a8.2n/a



Merck Research Laboratories



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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2284
PNG
(5-chloro-3-(phenylsulfanyl)-1H-indole-2-carboxamid...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1
Show InChI InChI=1S/C15H11ClN2OS/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)20-10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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n/an/a 14n/an/an/an/a8.2n/a



Merck Research Laboratories



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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair