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10 similar compounds to monomer 50230305

Compile data set for download or QSAR
Wt: 611.4
BDBM50230323
Wt: 617.6
BDBM50230307
Wt: 378.4
BDBM50230317
Wt: 394.9
BDBM50230318
Wt: 590.0
BDBM50230324
Wt: 344.4
BDBM50230319
Wt: 618.5
BDBM50230298
Wt: 598.1
BDBM50230302
Wt: 423.5
BDBM50230303
Wt: 516.6
BDBM50230306

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50230323,50230307,50230317,50230318,50230324,50230319,50230298,50230302,50230303,50230306   
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
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230324
PNG
(CHEMBL4090854)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C28H28ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h7-16,21H,2-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b12-7+/t21-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230323
PNG
(CHEMBL4101043)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCCCCOc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C28H28Cl2N8O4/c1-41-28(40)32-19-9-10-20-23(15-19)42-13-5-3-2-4-6-21(27-34-25(20)26(30)35-27)33-24(39)12-7-17-14-18(29)8-11-22(17)38-16-31-36-37-38/h7-12,14-16,21H,2-6,13H2,1H3,(H,32,40)(H,33,39)(H,34,35)/b12-7+/t21-/m0/s1
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76n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50230317
PNG
(CHEMBL4091022)
Show SMILES CSc1nc(NCc2ccccc2)c2ccn(Cc3ccc(F)cc3)c2n1
Show InChI InChI=1S/C21H19FN4S/c1-27-21-24-19(23-13-15-5-3-2-4-6-15)18-11-12-26(20(18)25-21)14-16-7-9-17(22)10-8-16/h2-12H,13-14H2,1H3,(H,23,24,25)
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500n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His6-tagged Src expressed in Sf21 cells using KVEKIGEGTYGVVYK as substrate after 10 mins in pr...


Eur J Med Chem 127: 369-378 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.036
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50230318
PNG
(CHEMBL4103914)
Show SMILES CSc1nc(Nc2ccccc2)c2ccn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C21H19ClN4S/c1-27-21-24-19(23-16-10-6-3-7-11-16)17-12-13-26(20(17)25-21)14-18(22)15-8-4-2-5-9-15/h2-13,18H,14H2,1H3,(H,23,24,25)
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1.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His6-tagged Src expressed in Sf21 cells using KVEKIGEGTYGVVYK as substrate after 10 mins in pr...


Eur J Med Chem 127: 369-378 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.036
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50230319
PNG
(CHEMBL4060213)
Show SMILES CCCCNc1nc(SC)nc2n(Cc3ccc(F)cc3)ccc12
Show InChI InChI=1S/C18H21FN4S/c1-3-4-10-20-16-15-9-11-23(17(15)22-18(21-16)24-2)12-13-5-7-14(19)8-6-13/h5-9,11H,3-4,10,12H2,1-2H3,(H,20,21,22)
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3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His6-tagged Src expressed in Sf21 cells using KVEKIGEGTYGVVYK as substrate after 10 mins in pr...


Eur J Med Chem 127: 369-378 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.036
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50230317
PNG
(CHEMBL4091022)
Show SMILES CSc1nc(NCc2ccccc2)c2ccn(Cc3ccc(F)cc3)c2n1
Show InChI InChI=1S/C21H19FN4S/c1-27-21-24-19(23-13-15-5-3-2-4-6-15)18-11-12-26(20(18)25-21)14-16-7-9-17(22)10-8-16/h2-12H,13-14H2,1H3,(H,23,24,25)
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n/an/a 4.32E+4n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His6-tagged Fyn expressed in baculovirus infected Sf21 cells using KVEKIGEGTYGVVYK as substrat...


Eur J Med Chem 127: 369-378 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.036
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50230306
PNG
(CHEMBL4073421)
Show SMILES OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)Oc3ccccn3)cc2)cc1
Show InChI InChI=1S/C31H36N2O5/c34-30(35)13-10-24-8-11-27(12-9-24)36-23-26-6-4-25(5-7-26)22-33-18-15-31(16-19-33)21-28(14-20-37-31)38-29-3-1-2-17-32-29/h1-9,11-12,17,28H,10,13-16,18-23H2,(H,34,35)
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n/an/an/an/a 900n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular calcium flux by Fluo-8 dye based FLIPR assay


Eur J Med Chem 127: 357-368 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.005
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50230303
PNG
(CHEMBL3990703)
Show SMILES OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CCCCO4)CC3)cc2)cc1
Show InChI InChI=1S/C26H33NO4/c28-25(29)12-9-21-7-10-24(11-8-21)30-20-23-5-3-22(4-6-23)19-27-16-14-26(15-17-27)13-1-2-18-31-26/h3-8,10-11H,1-2,9,12-20H2,(H,28,29)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular calcium flux by Fluo-8 dye based FLIPR assay


Eur J Med Chem 127: 357-368 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.005
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50230317
PNG
(CHEMBL4091022)
Show SMILES CSc1nc(NCc2ccccc2)c2ccn(Cc3ccc(F)cc3)c2n1
Show InChI InChI=1S/C21H19FN4S/c1-27-21-24-19(23-13-15-5-3-2-4-6-15)18-11-12-26(20(18)25-21)14-16-7-9-17(22)10-8-16/h2-12H,13-14H2,1H3,(H,23,24,25)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Abl (unknown origin)


Eur J Med Chem 127: 369-378 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.036
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50230307
PNG
(CHEMBL4083311)
Show SMILES Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3cccnc3)CCO4)cc2)cc1
Show InChI InChI=1S/C33H40N2O5.2ClH/c36-32(37)12-9-26-7-10-30(11-8-26)39-25-29-5-3-28(4-6-29)24-35-18-15-33(16-19-35)22-27(14-21-40-33)13-20-38-31-2-1-17-34-23-31;;/h1-8,10-11,17,23,27H,9,12-16,18-22,24-25H2,(H,36,37);2*1H
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n/an/an/an/a 2.56E+3n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular calcium flux by Fluo-8 dye based FLIPR assay


Eur J Med Chem 127: 357-368 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.005
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50230317
PNG
(CHEMBL4091022)
Show SMILES CSc1nc(NCc2ccccc2)c2ccn(Cc3ccc(F)cc3)c2n1
Show InChI InChI=1S/C21H19FN4S/c1-27-21-24-19(23-13-15-5-3-2-4-6-15)18-11-12-26(20(18)25-21)14-16-7-9-17(22)10-8-16/h2-12H,13-14H2,1H3,(H,23,24,25)
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n/an/a 6.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin) using KVEKIGEGTYGVVYK as substrate after 10 mins in presence of [gamma-33P]ATP by scintillation counting method


Eur J Med Chem 127: 369-378 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.036
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50230302
PNG
(CHEMBL4077784)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc(F)cc3)CCO4)cc2)cc1
Show InChI InChI=1S/C34H40FNO5.ClH/c35-30-8-12-31(13-9-30)39-21-15-27-16-22-41-34(23-27)17-19-36(20-18-34)24-28-1-3-29(4-2-28)25-40-32-10-5-26(6-11-32)7-14-33(37)38;/h1-6,8-13,27H,7,14-25H2,(H,37,38);1H
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n/an/an/an/a 2.06E+3n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular calcium flux by Fluo-8 dye based FLIPR assay


Eur J Med Chem 127: 357-368 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.005
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50230318
PNG
(CHEMBL4103914)
Show SMILES CSc1nc(Nc2ccccc2)c2ccn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C21H19ClN4S/c1-27-21-24-19(23-16-10-6-3-7-11-16)17-12-13-26(20(17)25-21)14-18(22)15-8-4-2-5-9-15/h2-13,18H,14H2,1H3,(H,23,24,25)
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n/an/a 6.20E+4n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His6-tagged Fyn expressed in baculovirus infected Sf21 cells using KVEKIGEGTYGVVYK as substrat...


Eur J Med Chem 127: 369-378 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.036
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50230298
PNG
(CHEMBL4063221)
Show SMILES Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3cnccn3)CCO4)cc2)cc1
Show InChI InChI=1S/C32H39N3O5.2ClH/c36-31(37)10-7-25-5-8-29(9-6-25)39-24-28-3-1-27(2-4-28)23-35-17-13-32(14-18-35)21-26(12-20-40-32)11-19-38-30-22-33-15-16-34-30;;/h1-6,8-9,15-16,22,26H,7,10-14,17-21,23-24H2,(H,36,37);2*1H
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n/an/an/an/a 1.48E+3n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular calcium flux by Fluo-8 dye based FLIPR assay


Eur J Med Chem 127: 357-368 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.005
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50230318
PNG
(CHEMBL4103914)
Show SMILES CSc1nc(Nc2ccccc2)c2ccn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C21H19ClN4S/c1-27-21-24-19(23-16-10-6-3-7-11-16)17-12-13-26(20(17)25-21)14-18(22)15-8-4-2-5-9-15/h2-13,18H,14H2,1H3,(H,23,24,25)
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n/an/a 7.20E+4n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin) using KVEKIGEGTYGVVYK as substrate after 10 mins in presence of [gamma-33P]ATP by scintillation counting method


Eur J Med Chem 127: 369-378 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.036
More data for this
Ligand-Target Pair