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11 similar compounds to monomer 50174345

Compile data set for download or QSAR
Wt: 542.1
BDBM50174304
Wt: 359.8
BDBM50174314
Wt: 441.4
BDBM50174320
Wt: 517.5
BDBM50174340
Wt: 457.5
BDBM50174342
Wt: 314.4
BDBM50174315
Wt: 340.4
BDBM50174308
Wt: 325.3
BDBM50174311
Wt: 381.4
BDBM50174322
Wt: 517.5
BDBM50174325
Wt: 381.4
BDBM50174332

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50174304,50174314,50174320,50174340,50174342,50174315,50174308,50174311,50174322,50174325,50174332   
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
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50174315
PNG
(CHEMBL3810140)
Show SMILES CCCCCc1cc(O)c([C@H]2C=C(C)CC[C@@H]2C(C)=C)c(O)c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m1/s1
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842n/an/an/an/an/an/an/an/a



KannaLife Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-HU-243 from CB1 receptor in Sabra rat brain synaptosomes after 90 mins


ACS Med Chem Lett 7: 424-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00009
BindingDB Entry DOI: 10.7270/Q2BZ680Z
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50174304
PNG
(CHEMBL198962 | N-((S)-1-((S)-1-(4-chlorophenyl)-4-...)
Show SMILES CCNC(=O)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)CCCCC1CCSS1)C(C)C
Show InChI InChI=1S/C25H36ClN3O4S2/c1-4-27-25(33)23(31)20(15-17-9-11-18(26)12-10-17)28-24(32)22(16(2)3)29-21(30)8-6-5-7-19-13-14-34-35-19/h9-12,16,19-20,22H,4-8,13-15H2,1-3H3,(H,27,33)(H,28,32)(H,29,30)/t19?,20-,22-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Santhera Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cathepsin B


Bioorg Med Chem Lett 15: 5176-81 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.064
BindingDB Entry DOI: 10.7270/Q23N2466
More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM50174311
PNG
(CHEMBL3808891)
Show SMILES Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)[nH]1
Show InChI InChI=1S/C16H15N5OS/c17-13-9-5-4-8-12(13)15-19-16(21-20-15)23-10-14(22)18-11-6-2-1-3-7-11/h1-9H,10,17H2,(H,18,22)(H,19,20,21)
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n/an/a 330n/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by ad...


ACS Med Chem Lett 7: 413-7 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00495
BindingDB Entry DOI: 10.7270/Q2GQ70PT
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50174320
PNG
(CHEMBL3809541)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Nc3ncnc4cc(OC)c(OC)cc34)cc2)c1
Show InChI InChI=1S/C26H23N3O4/c1-31-20-6-4-5-17(13-20)7-12-23(30)18-8-10-19(11-9-18)29-26-21-14-24(32-2)25(33-3)15-22(21)27-16-28-26/h4-16H,1-3H3,(H,27,28,29)/b12-7+
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n/an/a 390n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst...


Eur J Med Chem 117: 212-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.067
BindingDB Entry DOI: 10.7270/Q23J3FW7
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50174322
PNG
(CHEMBL3809533)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Nc3ncnc4ccccc34)cc2)c1
Show InChI InChI=1S/C24H19N3O2/c1-29-20-6-4-5-17(15-20)9-14-23(28)18-10-12-19(13-11-18)27-24-21-7-2-3-8-22(21)25-16-26-24/h2-16H,1H3,(H,25,26,27)/b14-9+
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n/an/a 680n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst...


Eur J Med Chem 117: 212-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.067
BindingDB Entry DOI: 10.7270/Q23J3FW7
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50174325
PNG
(CHEMBL3809810)
Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)c2)cc1
Show InChI InChI=1S/C32H27N3O4/c1-37-25-15-11-21(12-16-25)13-17-28(36)22-7-6-8-24(19-22)33-32-26-9-4-5-10-27(26)34-31(35-32)23-14-18-29(38-2)30(20-23)39-3/h4-20H,1-3H3,(H,33,34,35)/b17-13+
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n/an/a 210n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst...


Eur J Med Chem 117: 212-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.067
BindingDB Entry DOI: 10.7270/Q23J3FW7
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50174332
PNG
(CHEMBL3810064)
Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3ncnc4ccccc34)c2)cc1
Show InChI InChI=1S/C24H19N3O2/c1-29-20-12-9-17(10-13-20)11-14-23(28)18-5-4-6-19(15-18)27-24-21-7-2-3-8-22(21)25-16-26-24/h2-16H,1H3,(H,25,26,27)/b14-11+
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n/an/a 890n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst...


Eur J Med Chem 117: 212-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.067
BindingDB Entry DOI: 10.7270/Q23J3FW7
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50174320
PNG
(CHEMBL3809541)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Nc3ncnc4cc(OC)c(OC)cc34)cc2)c1
Show InChI InChI=1S/C26H23N3O4/c1-31-20-6-4-5-17(13-20)7-12-23(30)18-8-10-19(11-9-18)29-26-21-14-24(32-2)25(33-3)15-22(21)27-16-28-26/h4-16H,1-3H3,(H,27,28,29)/b12-7+
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n/an/a 7.55E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 in human A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as...


Eur J Med Chem 117: 212-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.067
BindingDB Entry DOI: 10.7270/Q23J3FW7
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50174322
PNG
(CHEMBL3809533)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Nc3ncnc4ccccc34)cc2)c1
Show InChI InChI=1S/C24H19N3O2/c1-29-20-6-4-5-17(15-20)9-14-23(28)18-10-12-19(13-11-18)27-24-21-7-2-3-8-22(21)25-16-26-24/h2-16H,1H3,(H,25,26,27)/b14-9+
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n/an/a 5.57E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 in human A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as...


Eur J Med Chem 117: 212-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.067
BindingDB Entry DOI: 10.7270/Q23J3FW7
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50174325
PNG
(CHEMBL3809810)
Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)c2)cc1
Show InChI InChI=1S/C32H27N3O4/c1-37-25-15-11-21(12-16-25)13-17-28(36)22-7-6-8-24(19-22)33-32-26-9-4-5-10-27(26)34-31(35-32)23-14-18-29(38-2)30(20-23)39-3/h4-20H,1-3H3,(H,33,34,35)/b17-13+
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n/an/a 1.29E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 in human A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as...


Eur J Med Chem 117: 212-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.067
BindingDB Entry DOI: 10.7270/Q23J3FW7
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50174332
PNG
(CHEMBL3810064)
Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3ncnc4ccccc34)c2)cc1
Show InChI InChI=1S/C24H19N3O2/c1-29-20-12-9-17(10-13-20)11-14-23(28)18-5-4-6-19(15-18)27-24-21-7-2-3-8-22(21)25-16-26-24/h2-16H,1H3,(H,25,26,27)/b14-11+
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n/an/a 7.08E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 in human A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as...


Eur J Med Chem 117: 212-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.067
BindingDB Entry DOI: 10.7270/Q23J3FW7
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50174340
PNG
(CHEMBL3808585)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)cc2)cc1
Show InChI InChI=1S/C32H27N3O4/c1-37-25-16-8-21(9-17-25)10-18-28(36)22-11-14-24(15-12-22)33-32-26-6-4-5-7-27(26)34-31(35-32)23-13-19-29(38-2)30(20-23)39-3/h4-20H,1-3H3,(H,33,34,35)/b18-10+
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n/an/a 3.13E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst...


Eur J Med Chem 117: 212-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.067
BindingDB Entry DOI: 10.7270/Q23J3FW7
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50174342
PNG
(CHEMBL3810160)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C30H23N3O2/c1-35-25-18-11-21(12-19-25)13-20-28(34)22-14-16-24(17-15-22)31-30-26-9-5-6-10-27(26)32-29(33-30)23-7-3-2-4-8-23/h2-20H,1H3,(H,31,32,33)/b20-13+
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n/an/a 3.55E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst...


Eur J Med Chem 117: 212-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.067
BindingDB Entry DOI: 10.7270/Q23J3FW7
More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM50174308
PNG
(CHEMBL3808541)
Show SMILES Cc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccc(O)cc1
Show InChI InChI=1S/C17H16N4O2S/c1-11-4-2-3-5-14(11)18-15(23)10-24-17-19-16(20-21-17)12-6-8-13(22)9-7-12/h2-9,22H,10H2,1H3,(H,18,23)(H,19,20,21)
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n/an/a 980n/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by ad...


ACS Med Chem Lett 7: 413-7 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00495
BindingDB Entry DOI: 10.7270/Q2GQ70PT
More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM50174314
PNG
(CHEMBL3809238)
Show SMILES Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)[nH]1
Show InChI InChI=1S/C16H14ClN5OS/c17-11-6-2-4-8-13(11)19-14(23)9-24-16-20-15(21-22-16)10-5-1-3-7-12(10)18/h1-8H,9,18H2,(H,19,23)(H,20,21,22)
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n/an/a 610n/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by ad...


ACS Med Chem Lett 7: 413-7 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00495
BindingDB Entry DOI: 10.7270/Q2GQ70PT
More data for this
Ligand-Target Pair