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10 similar compounds to monomer 50230216

Compile data set for download or QSAR
Wt: 160.1
BDBM50230222
Wt: 289.7
BDBM50230217
Wt: 441.4
BDBM50230200
Wt: 558.3
BDBM50230181
Wt: 518.3
BDBM50230182
Wt: 440.3
BDBM50230186
Wt: 544.9
BDBM50230198
Wt: 407.4
BDBM50230190
Wt: 634.7
BDBM50230213
Wt: 574.3
BDBM50230175

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50230222,50230217,50230200,50230181,50230182,50230186,50230198,50230190,50230213,50230175   
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
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50230198
PNG
(CHEMBL4087725)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCOc3ccc4ccc(=O)oc4c3)c2c1
Show InChI InChI=1S/C30H25ClN2O6/c1-18-24(17-28(34)32-13-14-38-23-9-5-19-6-12-29(35)39-27(19)16-23)25-15-22(37-2)10-11-26(25)33(18)30(36)20-3-7-21(31)8-4-20/h3-12,15-16H,13-14,17H2,1-2H3,(H,32,34)
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6.5n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230198
PNG
(CHEMBL4087725)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCOc3ccc4ccc(=O)oc4c3)c2c1
Show InChI InChI=1S/C30H25ClN2O6/c1-18-24(17-28(34)32-13-14-38-23-9-5-19-6-12-29(35)39-27(19)16-23)25-15-22(37-2)10-11-26(25)33(18)30(36)20-3-7-21(31)8-4-20/h3-12,15-16H,13-14,17H2,1-2H3,(H,32,34)
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8.30n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230200
PNG
(CHEMBL4079848)
Show SMILES CC(C(=O)NCCOc1ccc2ccc(=O)oc2c1)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1/C27H23NO5/c1-18(21-8-5-9-22(16-21)26(30)20-6-3-2-4-7-20)27(31)28-14-15-32-23-12-10-19-11-13-25(29)33-24(19)17-23/h2-13,16-18H,14-15H2,1H3,(H,28,31)
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9.5n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM50230213
PNG
(CHEMBL4092526)
Show SMILES CO[C@@H]1CC\C=C\c2cccc(COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(O)c3)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C)c2
Show InChI InChI=1/C35H46N4O7/c1-22(2)31-33(42)36-29(20-25-12-8-14-27(40)19-25)34(43)39-17-9-15-28(38-39)35(44)46-21-26-13-7-11-24(18-26)10-5-6-16-30(45-4)23(3)32(41)37-31/h5,7-8,10-14,18-19,22-23,28-31,38,40H,6,9,15-17,20-21H2,1-4H3,(H,36,42)(H,37,41)/b10-5+/t23-,28+,29+,30-,31+/s2
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14n/an/an/an/an/an/an/an/a



Selcia Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su...


J Med Chem 60: 1000-1017 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50230198
PNG
(CHEMBL4087725)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCOc3ccc4ccc(=O)oc4c3)c2c1
Show InChI InChI=1S/C30H25ClN2O6/c1-18-24(17-28(34)32-13-14-38-23-9-5-19-6-12-29(35)39-27(19)16-23)25-15-22(37-2)10-11-26(25)33(18)30(36)20-3-7-21(31)8-4-20/h3-12,15-16H,13-14,17H2,1-2H3,(H,32,34)
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20n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50230200
PNG
(CHEMBL4079848)
Show SMILES CC(C(=O)NCCOc1ccc2ccc(=O)oc2c1)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1/C27H23NO5/c1-18(21-8-5-9-22(16-21)26(30)20-6-3-2-4-7-20)27(31)28-14-15-32-23-12-10-19-11-13-25(29)33-24(19)17-23/h2-13,16-18H,14-15H2,1H3,(H,28,31)
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58n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230200
PNG
(CHEMBL4079848)
Show SMILES CC(C(=O)NCCOc1ccc2ccc(=O)oc2c1)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1/C27H23NO5/c1-18(21-8-5-9-22(16-21)26(30)20-6-3-2-4-7-20)27(31)28-14-15-32-23-12-10-19-11-13-25(29)33-24(19)17-23/h2-13,16-18H,14-15H2,1H3,(H,28,31)
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85n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50230200
PNG
(CHEMBL4079848)
Show SMILES CC(C(=O)NCCOc1ccc2ccc(=O)oc2c1)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1/C27H23NO5/c1-18(21-8-5-9-22(16-21)26(30)20-6-3-2-4-7-20)27(31)28-14-15-32-23-12-10-19-11-13-25(29)33-24(19)17-23/h2-13,16-18H,14-15H2,1H3,(H,28,31)
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>100n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230198
PNG
(CHEMBL4087725)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCOc3ccc4ccc(=O)oc4c3)c2c1
Show InChI InChI=1S/C30H25ClN2O6/c1-18-24(17-28(34)32-13-14-38-23-9-5-19-6-12-29(35)39-27(19)16-23)25-15-22(37-2)10-11-26(25)33(18)30(36)20-3-7-21(31)8-4-20/h3-12,15-16H,13-14,17H2,1-2H3,(H,32,34)
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>100n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230200
PNG
(CHEMBL4079848)
Show SMILES CC(C(=O)NCCOc1ccc2ccc(=O)oc2c1)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1/C27H23NO5/c1-18(21-8-5-9-22(16-21)26(30)20-6-3-2-4-7-20)27(31)28-14-15-32-23-12-10-19-11-13-25(29)33-24(19)17-23/h2-13,16-18H,14-15H2,1H3,(H,28,31)
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>100n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA7 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230198
PNG
(CHEMBL4087725)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCOc3ccc4ccc(=O)oc4c3)c2c1
Show InChI InChI=1S/C30H25ClN2O6/c1-18-24(17-28(34)32-13-14-38-23-9-5-19-6-12-29(35)39-27(19)16-23)25-15-22(37-2)10-11-26(25)33(18)30(36)20-3-7-21(31)8-4-20/h3-12,15-16H,13-14,17H2,1-2H3,(H,32,34)
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>100n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230198
PNG
(CHEMBL4087725)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCOc3ccc4ccc(=O)oc4c3)c2c1
Show InChI InChI=1S/C30H25ClN2O6/c1-18-24(17-28(34)32-13-14-38-23-9-5-19-6-12-29(35)39-27(19)16-23)25-15-22(37-2)10-11-26(25)33(18)30(36)20-3-7-21(31)8-4-20/h3-12,15-16H,13-14,17H2,1-2H3,(H,32,34)
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>100n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA7 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230200
PNG
(CHEMBL4079848)
Show SMILES CC(C(=O)NCCOc1ccc2ccc(=O)oc2c1)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1/C27H23NO5/c1-18(21-8-5-9-22(16-21)26(30)20-6-3-2-4-7-20)27(31)28-14-15-32-23-12-10-19-11-13-25(29)33-24(19)17-23/h2-13,16-18H,14-15H2,1H3,(H,28,31)
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>100n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50230181
PNG
(CHEMBL4086694)
Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)cc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C25H19BrF3N5O2/c26-15-10-14(25(27,28)29)11-17(12-15)32-23(36)24(8-9-24)22(35)31-16-6-4-13(5-7-16)18-2-1-3-19-20(18)21(30)34-33-19/h1-7,10-12H,8-9H2,(H,31,35)(H,32,36)(H3,30,33,34)
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n/an/a 35n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50230182
PNG
(CHEMBL4069517)
Show SMILES Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2cc(Br)cc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H15BrF3N5S/c23-16-8-15(22(24,25)26)9-18(10-16)30-21(32)29-17-5-3-12(4-6-17)13-1-2-14-11-28-20(27)31-19(14)7-13/h1-11H,(H2,27,28,31)(H2,29,30,32)
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n/an/a 2.5n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of TIE-2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50230186
PNG
(CHEMBL4104466)
Show SMILES Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C21H15Cl2N5S/c22-15-5-8-18(17(23)10-15)28-21(29)26-16-6-3-12(4-7-16)13-1-2-14-11-25-20(24)27-19(14)9-13/h1-11H,(H2,24,25,27)(H2,26,28,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EphB4 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM50230213
PNG
(CHEMBL4092526)
Show SMILES CO[C@@H]1CC\C=C\c2cccc(COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(O)c3)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C)c2
Show InChI InChI=1/C35H46N4O7/c1-22(2)31-33(42)36-29(20-25-12-8-14-27(40)19-25)34(43)39-17-9-15-28(38-39)35(44)46-21-26-13-7-11-24(18-26)10-5-6-16-30(45-4)23(3)32(41)37-31/h5,7-8,10-14,18-19,22-23,28-31,38,40H,6,9,15-17,20-21H2,1-4H3,(H,36,42)(H,37,41)/b10-5+/t23-,28+,29+,30-,31+/s2
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n/an/an/a 64n/an/an/an/an/a



Selcia Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i...


J Med Chem 60: 1000-1017 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50230175
PNG
(CHEMBL4063920)
Show SMILES Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)ccc4OC(F)(F)F)c3)c12
Show InChI InChI=1S/C25H19BrF3N5O3/c26-14-7-8-19(37-25(27,28)29)18(12-14)32-23(36)24(9-10-24)22(35)31-15-4-1-3-13(11-15)16-5-2-6-17-20(16)21(30)34-33-17/h1-8,11-12H,9-10H2,(H,31,35)(H,32,36)(H3,30,33,34)
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n/an/a 32n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50230190
PNG
(CHEMBL4080224)
Show SMILES Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc(F)c(F)c2)cc1
Show InChI InChI=1S/C21H15F2N5S/c22-17-8-7-16(10-18(17)23)27-21(29)26-15-5-3-12(4-6-15)13-1-2-14-11-25-20(24)28-19(14)9-13/h1-11H,(H2,24,25,28)(H2,26,27,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EphB4 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50230190
PNG
(CHEMBL4080224)
Show SMILES Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc(F)c(F)c2)cc1
Show InChI InChI=1S/C21H15F2N5S/c22-17-8-7-16(10-18(17)23)27-21(29)26-15-5-3-12(4-6-15)13-1-2-14-11-25-20(24)28-19(14)9-13/h1-11H,(H2,24,25,28)(H2,26,27,29)
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n/an/a 52n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of TIE-2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50230186
PNG
(CHEMBL4104466)
Show SMILES Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C21H15Cl2N5S/c22-15-5-8-18(17(23)10-15)28-21(29)26-16-6-3-12(4-7-16)13-1-2-14-11-25-20(24)27-19(14)9-13/h1-11H,(H2,24,25,27)(H2,26,28,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50230181
PNG
(CHEMBL4086694)
Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)cc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C25H19BrF3N5O2/c26-15-10-14(25(27,28)29)11-17(12-15)32-23(36)24(8-9-24)22(35)31-16-6-4-13(5-7-16)18-2-1-3-19-20(18)21(30)34-33-19/h1-7,10-12H,8-9H2,(H,31,35)(H,32,36)(H3,30,33,34)
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n/an/a 13n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of TIE-2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50230182
PNG
(CHEMBL4069517)
Show SMILES Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2cc(Br)cc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H15BrF3N5S/c23-16-8-15(22(24,25)26)9-18(10-16)30-21(32)29-17-5-3-12(4-6-17)13-1-2-14-11-28-20(27)31-19(14)7-13/h1-11H,(H2,27,28,31)(H2,29,30,32)
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n/an/a 1.10n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50230182
PNG
(CHEMBL4069517)
Show SMILES Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2cc(Br)cc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H15BrF3N5S/c23-16-8-15(22(24,25)26)9-18(10-16)30-21(32)29-17-5-3-12(4-6-17)13-1-2-14-11-28-20(27)31-19(14)7-13/h1-11H,(H2,27,28,31)(H2,29,30,32)
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n/an/a 0.270n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EphB4 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50230190
PNG
(CHEMBL4080224)
Show SMILES Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc(F)c(F)c2)cc1
Show InChI InChI=1S/C21H15F2N5S/c22-17-8-7-16(10-18(17)23)27-21(29)26-15-5-3-12(4-6-15)13-1-2-14-11-25-20(24)28-19(14)9-13/h1-11H,(H2,24,25,28)(H2,26,27,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50230175
PNG
(CHEMBL4063920)
Show SMILES Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)ccc4OC(F)(F)F)c3)c12
Show InChI InChI=1S/C25H19BrF3N5O3/c26-14-7-8-19(37-25(27,28)29)18(12-14)32-23(36)24(9-10-24)22(35)31-15-4-1-3-13(11-15)16-5-2-6-17-20(16)21(30)34-33-17/h1-8,11-12H,9-10H2,(H,31,35)(H,32,36)(H3,30,33,34)
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n/an/a 6.30n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of TIE-2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50230181
PNG
(CHEMBL4086694)
Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)cc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C25H19BrF3N5O2/c26-15-10-14(25(27,28)29)11-17(12-15)32-23(36)24(8-9-24)22(35)31-16-6-4-13(5-7-16)18-2-1-3-19-20(18)21(30)34-33-19/h1-7,10-12H,8-9H2,(H,31,35)(H,32,36)(H3,30,33,34)
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n/an/a 9.20n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EphB4 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50230186
PNG
(CHEMBL4104466)
Show SMILES Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C21H15Cl2N5S/c22-15-5-8-18(17(23)10-15)28-21(29)26-16-6-3-12(4-7-16)13-1-2-14-11-25-20(24)27-19(14)9-13/h1-11H,(H2,24,25,27)(H2,26,28,29)
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n/an/a 164n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of TIE-2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50230175
PNG
(CHEMBL4063920)
Show SMILES Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)ccc4OC(F)(F)F)c3)c12
Show InChI InChI=1S/C25H19BrF3N5O3/c26-14-7-8-19(37-25(27,28)29)18(12-14)32-23(36)24(9-10-24)22(35)31-15-4-1-3-13(11-15)16-5-2-6-17-20(16)21(30)34-33-17/h1-8,11-12H,9-10H2,(H,31,35)(H,32,36)(H3,30,33,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EphB4 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)
BDBM50230217
PNG
(CHEMBL555867)
Show SMILES Cl.Cc1nccn1-c1cccc(OS(N)(=O)=O)c1
Show InChI InChI=1S/C10H11N3O3S.ClH/c1-8-12-5-6-13(8)9-3-2-4-10(7-9)16-17(11,14)15;/h2-7H,1H3,(H2,11,14,15);1H
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n/an/a 50n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.


J Med Chem 35: 4790-4 (1992)


Article DOI: 10.1021/jm00104a003
BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50230222
PNG
(MEDORINONE | Medorinone | WIN-49016)
Show SMILES Cc1nccc2nc(O)ccc12
Show InChI InChI=1S/C9H8N2O/c1-6-7-2-3-9(12)11-8(7)4-5-10-6/h2-5H,1H3,(H,11,12)
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n/an/a 550n/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibition of cAMP PDE 3


J Med Chem 35: 4858-65 (1992)


Article DOI: 10.1021/jm00104a012
BindingDB Entry DOI: 10.7270/Q2H13480
More data for this
Ligand-Target Pair