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19 similar compounds to monomer 50230285

Compile data set for download or QSAR
Wt: 217.2
BDBM50061984
Wt: 217.2
BDBM50061986
Wt: 487.7
BDBM50138832
Wt: 282.3
BDBM50138829
Wt: 304.3
BDBM50158572
Wt: 320.3
BDBM50158574
Wt: 509.5
BDBM50195688
Wt: 461.5
BDBM50195695
Wt: 553.6
BDBM50195690
Wt: 553.6
BDBM50195691
Wt: 290.3
BDBM50230288
Wt: 411.4
BDBM50249899
Wt: 288.2
BDBM50249845
Wt: 293.3
BDBM50249846
Wt: 303.3
BDBM50249847
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50061984,50061986,50138832,50138829,50158572,50158574,50195688,50195695,50195690,50195691,50230288,50249899,50249845,50249846,50249847   
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061984
PNG
(CHEMBL74478 | {(2E)-2-[(6-amino-9H-purin-9-yl)meth...)
Show SMILES Nc1ncnc2n(\C=C3/CC3CO)cnc12
Show InChI InChI=1/C10H11N5O/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-16/h2,4-5,7,16H,1,3H2,(H2,11,12,13)/b6-2+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
BindingDB Entry DOI: 10.7270/Q2VX0FM4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50138829
PNG
(CHEMBL3754097 | US10233190, Example 1416)
Show SMILES O[C@@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2/t16-,18+/s2
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US Patent
n/an/a 550n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061984
PNG
(CHEMBL74478 | {(2E)-2-[(6-amino-9H-purin-9-yl)meth...)
Show SMILES Nc1ncnc2n(\C=C3/CC3CO)cnc12
Show InChI InChI=1/C10H11N5O/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-16/h2,4-5,7,16H,1,3H2,(H2,11,12,13)/b6-2+
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n/an/a 1.40E+4n/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
BindingDB Entry DOI: 10.7270/Q2VX0FM4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061986
PNG
(CHEMBL305612 | [2-(6-Amino-purin-9-ylmethylene)-cy...)
Show SMILES Nc1ncnc2n(\C=C3\CC3CO)cnc12
Show InChI InChI=1/C10H11N5O/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-16/h2,4-5,7,16H,1,3H2,(H2,11,12,13)/b6-2-
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n/an/a 800n/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
BindingDB Entry DOI: 10.7270/Q2VX0FM4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50138829
PNG
(CHEMBL3754097 | US10233190, Example 1416)
Show SMILES O[C@@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2/t16-,18+/s2
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in M15(pREP4) cells using L-tryptophan as substrate assessed as conversion of N-formylkynurenine to ky...


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138832
PNG
(CHEMBL3752907)
Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C29H49N3O3/c1-5-6-7-8-9-10-19-31-28(34)26(32-27(33)24-15-11-23(21-30)12-16-24)20-22-13-17-25(18-14-22)35-29(2,3)4/h13-14,17-18,23-24,26H,5-12,15-16,19-21,30H2,1-4H3,(H,31,34)(H,32,33)/t23-,24-,26-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of urokinase (unknown origin) using Pyr-Glu-Gly-Arg-pNA as substrate


Bioorg Med Chem 24: 545-53 (2016)


Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50138832
PNG
(CHEMBL3752907)
Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C29H49N3O3/c1-5-6-7-8-9-10-19-31-28(34)26(32-27(33)24-15-11-23(21-30)12-16-24)20-22-13-17-25(18-14-22)35-29(2,3)4/h13-14,17-18,23-24,26H,5-12,15-16,19-21,30H2,1-4H3,(H,31,34)(H,32,33)/t23-,24-,26-/s2
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n/an/a 1.70E+4n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate


Bioorg Med Chem 24: 545-53 (2016)


Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50138832
PNG
(CHEMBL3752907)
Show SMILES CCCCCCCCNC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/C29H49N3O3/c1-5-6-7-8-9-10-19-31-28(34)26(32-27(33)24-15-11-23(21-30)12-16-24)20-22-13-17-25(18-14-22)35-29(2,3)4/h13-14,17-18,23-24,26H,5-12,15-16,19-21,30H2,1-4H3,(H,31,34)(H,32,33)/t23-,24-,26-/s2
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n/an/a 380n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate


Bioorg Med Chem 24: 545-53 (2016)


Article DOI: 10.1016/j.bmc.2015.12.009
BindingDB Entry DOI: 10.7270/Q29888VQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50158574
PNG
(CHEMBL3781238)
Show SMILES COc1ccc(cc1)N1CC(=O)C(=C1N)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N4O2/c1-24-12-8-6-11(7-9-12)22-10-15(23)16(17(22)19)18-20-13-4-2-3-5-14(13)21-18/h2-9H,10,19H2,1H3,(H,20,21)
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n/an/a 7.00E+3n/an/an/an/an/an/a



NAS of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human FGFR1 (456 to 765 residues) expressed in baculovirus infected insect Sf21 cells after 25 mins u...


Bioorg Med Chem 24: 2053-9 (2016)


Article DOI: 10.1016/j.bmc.2016.03.036
BindingDB Entry DOI: 10.7270/Q2D50PVJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50158572
PNG
(CHEMBL3781563)
Show SMILES Cc1ccc(cc1)N1CC(=O)C(=C1N)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N4O/c1-11-6-8-12(9-7-11)22-10-15(23)16(17(22)19)18-20-13-4-2-3-5-14(13)21-18/h2-9H,10,19H2,1H3,(H,20,21)
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n/an/a>3.00E+4n/an/an/an/an/an/a



NAS of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human FGFR1 (456 to 765 residues) expressed in baculovirus infected insect Sf21 cells after 25 mins u...


Bioorg Med Chem 24: 2053-9 (2016)


Article DOI: 10.1016/j.bmc.2016.03.036
BindingDB Entry DOI: 10.7270/Q2D50PVJ
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50195688
PNG
(CHEMBL3979511)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCCc1ccccc1)Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H31NO5/c1-37-29-19-18-26(21-30(29)38-2)31(34)33(20-8-11-23-9-4-3-5-10-23)22-24-14-16-25(17-15-24)27-12-6-7-13-28(27)32(35)36/h3-7,9-10,12-19,21H,8,11,20,22H2,1-2H3,(H,35,36)
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n/an/a 3.70E+3n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...


ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50195690
PNG
(CHEMBL3917128)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2cc(C)ccc2C(O)=O)cc1
Show InChI InChI=1S/C34H35NO6/c1-23-12-17-29(34(37)38)32(19-23)41-28-15-13-26(14-16-28)22-35(18-8-11-25-9-6-5-7-10-25)33(36)27-20-30(39-3)24(2)31(21-27)40-4/h5-7,9-10,12-17,19-21H,8,11,18,22H2,1-4H3,(H,37,38)
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n/an/a 15n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...


ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50195691
PNG
(CHEMBL3986868)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2cccc(C)c2C(O)=O)cc1
Show InChI InChI=1S/C34H35NO6/c1-23-10-8-14-29(32(23)34(37)38)41-28-17-15-26(16-18-28)22-35(19-9-13-25-11-6-5-7-12-25)33(36)27-20-30(39-3)24(2)31(21-27)40-4/h5-8,10-12,14-18,20-21H,9,13,19,22H2,1-4H3,(H,37,38)
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n/an/a 100n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...


ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50195695
PNG
(CHEMBL3941037)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C28H31NO5/c1-20-25(33-2)17-24(18-26(20)34-3)28(32)29(15-7-10-21-8-5-4-6-9-21)19-23-13-11-22(12-14-23)16-27(30)31/h4-6,8-9,11-14,17-18H,7,10,15-16,19H2,1-3H3,(H,30,31)
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n/an/a 8.60E+3n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LPA2 (unknown origin)


ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50195695
PNG
(CHEMBL3941037)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C28H31NO5/c1-20-25(33-2)17-24(18-26(20)34-3)28(32)29(15-7-10-21-8-5-4-6-9-21)19-23-13-11-22(12-14-23)16-27(30)31/h4-6,8-9,11-14,17-18H,7,10,15-16,19H2,1-3H3,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LPA3 (unknown origin)


ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50195695
PNG
(CHEMBL3941037)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C28H31NO5/c1-20-25(33-2)17-24(18-26(20)34-3)28(32)29(15-7-10-21-8-5-4-6-9-21)19-23-13-11-22(12-14-23)16-27(30)31/h4-6,8-9,11-14,17-18H,7,10,15-16,19H2,1-3H3,(H,30,31)
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n/an/a 160n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...


ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50230288
PNG
(CHEMBL321948)
Show SMILES CCn1cnc2c1c(=O)n(-c1ccccc1)c1ncccc21
Show InChI InChI=1S/C17H14N4O/c1-2-20-11-19-14-13-9-6-10-18-16(13)21(17(22)15(14)20)12-7-4-3-5-8-12/h3-11H,2H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Canine Tracheal Smooth Muscle PDE 4


J Med Chem 35: 4866-74 (1992)


Article DOI: 10.1021/jm00104a013
BindingDB Entry DOI: 10.7270/Q2C82CJ8
More data for this
Ligand-Target Pair
Homeobox protein Nkx-2.5


(Mus musculus)
BDBM50249845
PNG
(CHEMBL4078962)
Show SMILES CC(C)CNC(=O)c1ccc(NC(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C13H15F3N2O2/c1-8(2)7-17-11(19)9-3-5-10(6-4-9)18-12(20)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,19)(H,18,20)
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of mouse GATA4/NKX2-5 transcriptional synergy expressed in African green monkey COS-1 cells measured after 30 hrs by dual luciferase repor...


J Med Chem 60: 7781-7798 (2017)

More data for this
Ligand-Target Pair
Homeobox protein Nkx-2.5


(Mus musculus)
BDBM50249846
PNG
(CHEMBL4103229)
Show SMILES CC(C)COC(=O)c1ccc(NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C15H19NO5/c1-10(2)9-21-15(20)11-3-5-12(6-4-11)16-13(17)7-8-14(18)19/h3-6,10H,7-9H2,1-2H3,(H,16,17)(H,18,19)
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of mouse GATA4/NKX2-5 transcriptional synergy expressed in African green monkey COS-1 cells measured after 30 hrs by dual luciferase repor...


J Med Chem 60: 7781-7798 (2017)

More data for this
Ligand-Target Pair
Homeobox protein Nkx-2.5


(Mus musculus)
BDBM50249847
PNG
(CHEMBL4095473)
Show SMILES CC(C)COC(=O)c1ccc(NC(=O)c2cccs2)cc1
Show InChI InChI=1S/C16H17NO3S/c1-11(2)10-20-16(19)12-5-7-13(8-6-12)17-15(18)14-4-3-9-21-14/h3-9,11H,10H2,1-2H3,(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of mouse GATA4/NKX2-5 transcriptional synergy expressed in African green monkey COS-1 cells measured after 30 hrs by dual luciferase repor...


J Med Chem 60: 7781-7798 (2017)

More data for this
Ligand-Target Pair
Homeobox protein Nkx-2.5


(Mus musculus)
BDBM50249899
PNG
(CHEMBL4088348)
Show SMILES Cc1onc(c1C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCC1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O4S/c1-15-19(20(23-28-15)16-8-3-2-4-9-16)21(25)22-17-10-7-11-18(14-17)29(26,27)24-12-5-6-13-24/h2-4,7-11,14H,5-6,12-13H2,1H3,(H,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of mouse GATA4/NKX2-5 transcriptional synergy expressed in African green monkey COS-1 cells measured after 30 hrs by dual luciferase repor...


J Med Chem 60: 7781-7798 (2017)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061986
PNG
(CHEMBL305612 | [2-(6-Amino-purin-9-ylmethylene)-cy...)
Show SMILES Nc1ncnc2n(\C=C3\CC3CO)cnc12
Show InChI InChI=1/C10H11N5O/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-16/h2,4-5,7,16H,1,3H2,(H2,11,12,13)/b6-2-
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
BindingDB Entry DOI: 10.7270/Q2VX0FM4
More data for this
Ligand-Target Pair