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5 similar compounds to monomer 50230560

Compile data set for download or QSAR
Wt: 592.5
BDBM50230580
Wt: 684.9
BDBM50230565
Wt: 580.8
BDBM50230570
Wt: 474.3
BDBM50230573
Wt: 451.2
BDBM50230575

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50230580,50230565,50230570,50230573,50230575   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50230565
PNG
(CHEMBL4061382)
Show SMILES NP(=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl
Show InChI InChI=1/C29H30Cl3FN5O5P/c30-10-12-38(13-11-31)44(34,40)42-14-2-5-28(39)43-23-7-8-26-24(17-23)29(36-19-35-26)37-22-6-9-27(25(32)16-22)41-18-20-3-1-4-21(33)15-20/h1,3-4,6-9,15-17,19H,2,5,10-14,18H2,(H2,34,40)(H,35,36,37)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...


Eur J Med Chem 127: 442-458 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.055
BindingDB Entry DOI: 10.7270/Q2S46V7W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50230565
PNG
(CHEMBL4061382)
Show SMILES NP(=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl
Show InChI InChI=1/C29H30Cl3FN5O5P/c30-10-12-38(13-11-31)44(34,40)42-14-2-5-28(39)43-23-7-8-26-24(17-23)29(36-19-35-26)37-22-6-9-27(25(32)16-22)41-18-20-3-1-4-21(33)15-20/h1,3-4,6-9,15-17,19H,2,5,10-14,18H2,(H2,34,40)(H,35,36,37)
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n/an/a 26n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...


Eur J Med Chem 127: 442-458 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.055
BindingDB Entry DOI: 10.7270/Q2S46V7W
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50230570
PNG
(CHEMBL4080720)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCOP(N)(=O)N(CCCl)CCCl
Show InChI InChI=1/C22H26Cl3FN5O4P/c1-33-20-13-19-16(22(29-14-28-19)30-15-3-4-18(26)17(25)11-15)12-21(20)34-9-2-10-35-36(27,32)31(7-5-23)8-6-24/h3-4,11-14H,2,5-10H2,1H3,(H2,27,32)(H,28,29,30)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...


Eur J Med Chem 127: 442-458 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.055
BindingDB Entry DOI: 10.7270/Q2S46V7W
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50230573
PNG
(CHEMBL4068337)
Show SMILES FC(F)(F)C1(N=C(Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1cccs1)C(F)(F)F
Show InChI InChI=1S/C19H12F6N4O2S/c20-18(21,22)17(19(23,24)25)12-14(26-13(28-17)11-7-4-8-32-11)29(16(31)27-15(12)30)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,26,28)(H,27,30,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...


J Med Chem 60: 1611-1616 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01706
BindingDB Entry DOI: 10.7270/Q2NG4SVK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50230575
PNG
(CHEMBL4079193)
Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)
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n/an/a 690n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...


J Med Chem 60: 1611-1616 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01706
BindingDB Entry DOI: 10.7270/Q2NG4SVK
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50230575
PNG
(CHEMBL4079193)
Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity at glucagon receptor (unknown origin)


J Med Chem 60: 1611-1616 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01706
BindingDB Entry DOI: 10.7270/Q2NG4SVK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50230573
PNG
(CHEMBL4068337)
Show SMILES FC(F)(F)C1(N=C(Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1cccs1)C(F)(F)F
Show InChI InChI=1S/C19H12F6N4O2S/c20-18(21,22)17(19(23,24)25)12-14(26-13(28-17)11-7-4-8-32-11)29(16(31)27-15(12)30)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,26,28)(H,27,30,31)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...


J Med Chem 60: 1611-1616 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01706
BindingDB Entry DOI: 10.7270/Q2NG4SVK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50230575
PNG
(CHEMBL4079193)
Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)
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n/an/a 603n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...


J Med Chem 60: 1611-1616 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01706
BindingDB Entry DOI: 10.7270/Q2NG4SVK
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50230575
PNG
(CHEMBL4079193)
Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 15 mins followed by NADPH addition measured after 8 min...


J Med Chem 60: 1611-1616 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01706
BindingDB Entry DOI: 10.7270/Q2NG4SVK
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50230575
PNG
(CHEMBL4079193)
Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)
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n/an/a 470n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 15 mins followed by NADPH addition measured after 8 min...


J Med Chem 60: 1611-1616 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01706
BindingDB Entry DOI: 10.7270/Q2NG4SVK
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50230575
PNG
(CHEMBL4079193)
Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins...


J Med Chem 60: 1611-1616 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01706
BindingDB Entry DOI: 10.7270/Q2NG4SVK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50230573
PNG
(CHEMBL4068337)
Show SMILES FC(F)(F)C1(N=C(Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1cccs1)C(F)(F)F
Show InChI InChI=1S/C19H12F6N4O2S/c20-18(21,22)17(19(23,24)25)12-14(26-13(28-17)11-7-4-8-32-11)29(16(31)27-15(12)30)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,26,28)(H,27,30,31)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...


J Med Chem 60: 1611-1616 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01706
BindingDB Entry DOI: 10.7270/Q2NG4SVK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50230575
PNG
(CHEMBL4079193)
Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)
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n/an/a 610n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...


J Med Chem 60: 1611-1616 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01706
BindingDB Entry DOI: 10.7270/Q2NG4SVK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50230573
PNG
(CHEMBL4068337)
Show SMILES FC(F)(F)C1(N=C(Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1cccs1)C(F)(F)F
Show InChI InChI=1S/C19H12F6N4O2S/c20-18(21,22)17(19(23,24)25)12-14(26-13(28-17)11-7-4-8-32-11)29(16(31)27-15(12)30)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,26,28)(H,27,30,31)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...


J Med Chem 60: 1611-1616 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01706
BindingDB Entry DOI: 10.7270/Q2NG4SVK
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50230575
PNG
(CHEMBL4079193)
Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)
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n/an/a 692n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...


J Med Chem 60: 1611-1616 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01706
BindingDB Entry DOI: 10.7270/Q2NG4SVK
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50230575
PNG
(CHEMBL4079193)
Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)
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n/an/a 2.12E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 15 mins followed by NADPH addition measured after...


J Med Chem 60: 1611-1616 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01706
BindingDB Entry DOI: 10.7270/Q2NG4SVK
More data for this
Ligand-Target Pair
Sialic acid-binding Ig-like lectin 7


(Homo sapiens (Human))
BDBM50230580
PNG
(CHEMBL4094130)
Show SMILES [Na+].CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCCCn2cc(nn2)-c2ccc(cc2)-c2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CO)C([O-])=O
Show InChI InChI=1/C28H34N4O9.Na/c1-17(34)29-24-22(35)14-28(27(38)39,41-26(24)25(37)23(36)16-33)40-13-5-12-32-15-21(30-31-32)20-10-8-19(9-11-20)18-6-3-2-4-7-18;/h2-4,6-11,15,22-26,33,35-37H,5,12-14,16H2,1H3,(H,29,34)(H,38,39);/q;+1/p-1/t22-,23+,24+,25+,26+,28+;/s2
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n/an/a 5.30E+4n/an/an/an/an/an/a



G3-BioTec

Curated by ChEMBL


Assay Description
Binding affinity to human IgG1-fused Siglec-7-Fc assessed as inhibition of Siglec-7-Fc binding to RBC preincubated for 10 mins followed by RBC additi...


J Med Chem 60: 941-956 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01111
BindingDB Entry DOI: 10.7270/Q2HQ4253
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50230570
PNG
(CHEMBL4080720)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCOP(N)(=O)N(CCCl)CCCl
Show InChI InChI=1/C22H26Cl3FN5O4P/c1-33-20-13-19-16(22(29-14-28-19)30-15-3-4-18(26)17(25)11-15)12-21(20)34-9-2-10-35-36(27,32)31(7-5-23)8-6-24/h3-4,11-14H,2,5-10H2,1H3,(H2,27,32)(H,28,29,30)
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n/an/a 0.5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu,...


Eur J Med Chem 127: 442-458 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.055
BindingDB Entry DOI: 10.7270/Q2S46V7W
More data for this
Ligand-Target Pair