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29 similar compounds to monomer 50148459

Compile data set for download or QSAR
Wt: 400.2
BDBM50089376
Wt: 320.3
BDBM50089379
Purchase
Wt: 304.3
BDBM50089381
Wt: 302.2
BDBM50089382
Wt: 1505.6
BDBM50089397
Wt: 415.5
BDBM50148457
Wt: 358.4
BDBM50148458
Wt: 317.4
BDBM50089377
Wt: 303.3
BDBM50089383
Purchase
Wt: 354.3
BDBM50089388
Wt: 411.4
BDBM50089390
Wt: 388.8
BDBM50089391
Wt: 399.3
BDBM50089392
Wt: 399.3
BDBM50089393
Wt: 306.3
BDBM50089394
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50089376,50089379,50089381,50089382,50089397,50148457,50148458,50089377,50089383,50089388,50089390,50089391,50089392,50089393,50089394   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089377
PNG
(CHEMBL3577952)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C19H31N3O/c1-5-20(6-2)15-17-7-9-18(10-8-17)19(23)22-13-11-21(12-14-22)16(3)4/h7-10,16H,5-6,11-15H2,1-4H3
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6n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089383
PNG
(CHEMBL1707983)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C17H25N3O2/c1-18-6-8-20(9-7-18)17(21)16-4-2-15(3-5-16)14-19-10-12-22-13-11-19/h2-5H,6-14H2,1H3
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22n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089390
PNG
(CHEMBL3577963)
Show SMILES OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2nc3ccccc3s2)[nH]1
Show InChI InChI=1S/C18H13N5O3S2/c24-14(20-17-19-12-7-3-4-8-13(12)28-17)9-27-18-21-15(22-23-18)10-5-1-2-6-11(10)16(25)26/h1-8H,9H2,(H,25,26)(H,19,20,24)(H,21,22,23)
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1.20E+3n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089391
PNG
(CHEMBL3577964)
Show SMILES OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)[nH]1
Show InChI InChI=1S/C17H13ClN4O3S/c18-10-5-7-11(8-6-10)19-14(23)9-26-17-20-15(21-22-17)12-3-1-2-4-13(12)16(24)25/h1-8H,9H2,(H,19,23)(H,24,25)(H,20,21,22)
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1.40E+3n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089388
PNG
(CHEMBL3577961)
Show SMILES OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)[nH]1
Show InChI InChI=1S/C17H14N4O3S/c22-14(18-11-6-2-1-3-7-11)10-25-17-19-15(20-21-17)12-8-4-5-9-13(12)16(23)24/h1-9H,10H2,(H,18,22)(H,23,24)(H,19,20,21)
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1.80E+3n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089393
PNG
(CHEMBL3577970)
Show SMILES OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2cccc(c2)[N+]([O-])=O)[nH]1
Show InChI InChI=1S/C17H13N5O5S/c23-14(18-10-4-3-5-11(8-10)22(26)27)9-28-17-19-15(20-21-17)12-6-1-2-7-13(12)16(24)25/h1-8H,9H2,(H,18,23)(H,24,25)(H,19,20,21)
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1.90E+3n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089392
PNG
(CHEMBL3577965)
Show SMILES OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccc(cc2)[N+]([O-])=O)[nH]1
Show InChI InChI=1S/C17H13N5O5S/c23-14(18-10-5-7-11(8-6-10)22(26)27)9-28-17-19-15(20-21-17)12-3-1-2-4-13(12)16(24)25/h1-8H,9H2,(H,18,23)(H,24,25)(H,19,20,21)
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2.20E+3n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089394
PNG
(CHEMBL3577971)
Show SMILES OC(=O)CCc1nnc(SCC(=O)Nc2ccccc2)[nH]1
Show InChI InChI=1S/C13H14N4O3S/c18-11(14-9-4-2-1-3-5-9)8-21-13-15-10(16-17-13)6-7-12(19)20/h1-5H,6-8H2,(H,14,18)(H,19,20)(H,15,16,17)
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>5.00E+6n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50089382
PNG
(CHEMBL315509 | [4-(3-Amino-5-methyl-5H-1,4,5,6,8-p...)
Show SMILES Cn1nc(N)c2cn(C3O[C@H](CO)[C@H]4O[C@H]34)c3ncnc1c23
Show InChI InChI=1S/C13H14N6O3/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9-8(22-9)6(3-20)21-13/h2,4,6,8-9,13,20H,3H2,1H3,(H2,14,17)/t6-,8-,9+,13?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was tested in cells acutely infected with HIV-1 Reverse transcriptase


J Med Chem 43: 2438-48 (2000)


Article DOI: 10.1021/jm990205m
BindingDB Entry DOI: 10.7270/Q26D5TNZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50148457
PNG
(CHEMBL3769509)
Show SMILES Cn1cc(-c2ccccc2)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H21N3O3S2/c1-23-12-16(13-5-3-2-4-6-13)18-15(20(23)24)11-17(27-18)19(21)22-14-7-9-28(25,26)10-8-14/h2-6,11-12,14H,7-10H2,1H3,(H2,21,22)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00256
BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148457
PNG
(CHEMBL3769509)
Show SMILES Cn1cc(-c2ccccc2)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H21N3O3S2/c1-23-12-16(13-5-3-2-4-6-13)18-15(20(23)24)11-17(27-18)19(21)22-14-7-9-28(25,26)10-8-14/h2-6,11-12,14H,7-10H2,1H3,(H2,21,22)
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n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00256
BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50148458
PNG
(CHEMBL3770039)
Show SMILES CNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H18N2O4S/c1-19-17(21)15-8-11-16(25-15)12(9-20(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H,19,21)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00256
BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148458
PNG
(CHEMBL3770039)
Show SMILES CNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H18N2O4S/c1-19-17(21)15-8-11-16(25-15)12(9-20(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H,19,21)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00256
BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50089397
PNG
(CHEMBL3577980)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O
Show InChI InChI=1/C76H96N16O17/c1-42-64(98)83-55(38-47-20-11-6-12-21-47)69(103)90-63(44(3)94)73(107)88-58(40-49-27-31-51(96)32-28-49)74(108)92-35-15-24-60(92)75(109)91-34-14-23-59(91)71(105)87-56(39-48-25-29-50(95)30-26-48)70(104)89-62(43(2)93)72(106)82-52(22-13-33-80-76(78)79)65(99)84-53(36-45-16-7-4-8-17-45)67(101)85-54(37-46-18-9-5-10-19-46)68(102)86-57(41-61(77)97)66(100)81-42/h4-12,16-21,25-32,42-44,52-60,62-63,93-96H,13-15,22-24,33-41H2,1-3H3,(H2,77,97)(H,81,100)(H,82,106)(H,83,98)(H,84,99)(H,85,101)(H,86,102)(H,87,105)(H,88,107)(H,89,104)(H,90,103)(H4,78,79,80)/t42-,43+,44+,52-,53-,54-,55-,56-,57-,58-,59-,60+,62-,63-/s2
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n/an/an/an/a 1.16E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by cAMP functional bioassay


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50089397
PNG
(CHEMBL3577980)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O
Show InChI InChI=1/C76H96N16O17/c1-42-64(98)83-55(38-47-20-11-6-12-21-47)69(103)90-63(44(3)94)73(107)88-58(40-49-27-31-51(96)32-28-49)74(108)92-35-15-24-60(92)75(109)91-34-14-23-59(91)71(105)87-56(39-48-25-29-50(95)30-26-48)70(104)89-62(43(2)93)72(106)82-52(22-13-33-80-76(78)79)65(99)84-53(36-45-16-7-4-8-17-45)67(101)85-54(37-46-18-9-5-10-19-46)68(102)86-57(41-61(77)97)66(100)81-42/h4-12,16-21,25-32,42-44,52-60,62-63,93-96H,13-15,22-24,33-41H2,1-3H3,(H2,77,97)(H,81,100)(H,82,106)(H,83,98)(H,84,99)(H,85,101)(H,86,102)(H,87,105)(H,88,107)(H,89,104)(H,90,103)(H4,78,79,80)/t42-,43+,44+,52-,53-,54-,55-,56-,57-,58-,59-,60+,62-,63-/s2
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n/an/an/an/a>1.00E+8n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by cAMP functional bioassay


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50089381
PNG
(5-(3-Amino-5-methyl-5H-1,4,5,6,8-pentaaza-acenapht...)
Show SMILES Cn1nc(N)c2cn(C3C[C@@H](O)[C@@H](CO)O3)c3ncnc1c23
Show InChI InChI=1S/C13H16N6O3/c1-18-12-10-6(11(14)17-18)3-19(13(10)16-5-15-12)9-2-7(21)8(4-20)22-9/h3,5,7-9,20-21H,2,4H2,1H3,(H2,14,17)/t7-,8-,9?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was tested in cells acutely infected with HIV-1 RT (reverse transcriptase)


J Med Chem 43: 2438-48 (2000)


Article DOI: 10.1021/jm990205m
BindingDB Entry DOI: 10.7270/Q26D5TNZ
More data for this
Ligand-Target Pair
LARGE


(Homo sapiens (Human))
BDBM50089376
PNG
(Phosphoric acid mono-[5-(3-amino-5-methyl-5H-1,4,5...)
Show SMILES Cn1nc(N)c2cn(C3O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c3ncnc1c23
Show InChI InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8+,9+,13?/m1/s1
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n/an/an/an/a 3.51E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VT1QQ4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50089379
PNG
((2R,3R,4S,5R)-2-(3-Amino-5-methyl-5H-1,4,5,6,8-pen...)
Show SMILES Cn1nc(N)c2cn(C3O[C@H](CO)[C@H](O)[C@@H]3O)c3ncnc1c23
Show InChI InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8+,9+,13?/m1/s1
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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immunodeficiency virus type 1 reverse transcriptase


J Med Chem 48: 3840-51 (2005)


Article DOI: 10.1021/jm0402014
BindingDB Entry DOI: 10.7270/Q2D50MH7
More data for this
Ligand-Target Pair