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35 similar compounds to monomer 50154879

Compile data set for download or QSAR
Wt: 506.5
BDBM50154904
Wt: 455.4
BDBM50154805
Wt: 512.4
BDBM50154822
Wt: 489.5
BDBM50154851
Wt: 488.5
BDBM50154860
Wt: 428.4
BDBM50154829
Wt: 494.5
BDBM50154863
Wt: 489.5
BDBM50154867
Wt: 475.5
BDBM50154869
Wt: 457.5
BDBM50154870
Wt: 417.8
BDBM50154807
Wt: 383.4
BDBM50154808
Wt: 462.5
BDBM50154812
Wt: 500.3
BDBM50154813
Wt: 500.3
BDBM50154814
Displayed 1 to 15 (of 35 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50154904,50154805,50154822,50154851,50154860,50154829,50154863,50154867,50154869,50154870,50154807,50154808,50154812,50154813,50154814   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154869
PNG
(CHEMBL3774519)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1cnccn1
Show InChI InChI=1S/C22H24F3N7S/c1-30-21(18-11-26-4-5-27-18)28-29-22(30)33-8-2-6-31-12-14-3-7-32(19(14)13-31)20-16(24)9-15(23)10-17(20)25/h4-5,9-11,14,19H,2-3,6-8,12-13H2,1H3
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1n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154867
PNG
(CHEMBL3775810)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-7-9-27-15-28-19)29-30-22(31)34-12-2-10-32-13-16-8-11-33(20(16)14-32)18-5-3-17(4-6-18)23(24,25)26/h3-7,9,15-16,20H,2,8,10-14H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154851
PNG
(CHEMBL3774683)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-13-27-8-9-28-19)29-30-22(31)34-12-2-10-32-14-16-7-11-33(20(16)15-32)18-5-3-17(4-6-18)23(24,25)26/h3-6,8-9,13,16,20H,2,7,10-12,14-15H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154851
PNG
(CHEMBL3774683)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-13-27-8-9-28-19)29-30-22(31)34-12-2-10-32-14-16-7-11-33(20(16)15-32)18-5-3-17(4-6-18)23(24,25)26/h3-6,8-9,13,16,20H,2,7,10-12,14-15H2,1H3
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2n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154860
PNG
(CHEMBL3774490)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1
Show InChI InChI=1S/C24H27F3N6S/c1-31-22(17-7-10-28-11-8-17)29-30-23(31)34-14-2-12-32-15-18-9-13-33(21(18)16-32)20-5-3-19(4-6-20)24(25,26)27/h3-8,10-11,18,21H,2,9,12-16H2,1H3
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2n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154863
PNG
(CHEMBL3775256)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1nccs1
Show InChI InChI=1S/C22H25F3N6S2/c1-29-19(20-26-8-12-32-20)27-28-21(29)33-11-2-9-30-13-15-7-10-31(18(15)14-30)17-5-3-16(4-6-17)22(23,24)25/h3-6,8,12,15,18H,2,7,9-11,13-14H2,1H3
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2n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154870
PNG
(CHEMBL3775771)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2F)nnc1-c1cnccn1
Show InChI InChI=1S/C22H25F2N7S/c1-29-21(18-12-25-7-8-26-18)27-28-22(29)32-11-3-9-30-13-15-6-10-31(19(15)14-30)20-16(23)4-2-5-17(20)24/h2,4-5,7-8,12,15,19H,3,6,9-11,13-14H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154851
PNG
(CHEMBL3774683)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-13-27-8-9-28-19)29-30-22(31)34-12-2-10-32-14-16-7-11-33(20(16)15-32)18-5-3-17(4-6-18)23(24,25)26/h3-6,8-9,13,16,20H,2,7,10-12,14-15H2,1H3
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4n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154904
PNG
(CHEMBL3775961)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCCN(C3C2)c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1S/C24H29F3N6OS/c1-16-21(34-15-28-16)22-29-30-23(31(22)2)35-12-4-10-32-13-17-5-3-11-33(20(17)14-32)19-8-6-18(7-9-19)24(25,26)27/h6-9,15,17,20H,3-5,10-14H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154851
PNG
(CHEMBL3774683)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-13-27-8-9-28-19)29-30-22(31)34-12-2-10-32-14-16-7-11-33(20(16)15-32)18-5-3-17(4-6-18)23(24,25)26/h3-6,8-9,13,16,20H,2,7,10-12,14-15H2,1H3
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158n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154867
PNG
(CHEMBL3775810)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-7-9-27-15-28-19)29-30-22(31)34-12-2-10-32-13-16-8-11-33(20(16)14-32)18-5-3-17(4-6-18)23(24,25)26/h3-7,9,15-16,20H,2,8,10-14H2,1H3
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158n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154863
PNG
(CHEMBL3775256)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1nccs1
Show InChI InChI=1S/C22H25F3N6S2/c1-29-19(20-26-8-12-32-20)27-28-21(29)33-11-2-9-30-13-15-7-10-31(18(15)14-30)17-5-3-16(4-6-17)22(23,24)25/h3-6,8,12,15,18H,2,7,9-11,13-14H2,1H3
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158n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154851
PNG
(CHEMBL3774683)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-13-27-8-9-28-19)29-30-22(31)34-12-2-10-32-14-16-7-11-33(20(16)15-32)18-5-3-17(4-6-18)23(24,25)26/h3-6,8-9,13,16,20H,2,7,10-12,14-15H2,1H3
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251n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154860
PNG
(CHEMBL3774490)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1
Show InChI InChI=1S/C24H27F3N6S/c1-31-22(17-7-10-28-11-8-17)29-30-23(31)34-14-2-12-32-15-18-9-13-33(21(18)16-32)20-5-3-19(4-6-20)24(25,26)27/h3-8,10-11,18,21H,2,9,12-16H2,1H3
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398n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154851
PNG
(CHEMBL3774683)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-13-27-8-9-28-19)29-30-22(31)34-12-2-10-32-14-16-7-11-33(20(16)15-32)18-5-3-17(4-6-18)23(24,25)26/h3-6,8-9,13,16,20H,2,7,10-12,14-15H2,1H3
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501n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154870
PNG
(CHEMBL3775771)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2F)nnc1-c1cnccn1
Show InChI InChI=1S/C22H25F2N7S/c1-29-21(18-12-25-7-8-26-18)27-28-22(29)32-11-3-9-30-13-15-6-10-31(19(15)14-30)20-16(23)4-2-5-17(20)24/h2,4-5,7-8,12,15,19H,3,6,9-11,13-14H2,1H3
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631n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154869
PNG
(CHEMBL3774519)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1cnccn1
Show InChI InChI=1S/C22H24F3N7S/c1-30-21(18-11-26-4-5-27-18)28-29-22(30)33-8-2-6-31-12-14-3-7-32(19(14)13-31)20-16(24)9-15(23)10-17(20)25/h4-5,9-11,14,19H,2-3,6-8,12-13H2,1H3
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631n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154829
PNG
(CHEMBL3775300)
Show SMILES Cc1c(nnn1-c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)cc1
Show InChI InChI=1S/C23H17FN6O2/c1-14-21(28-29-30(14)17-6-2-15(24)3-7-17)23(31)27-16-4-8-18(9-5-16)32-20-11-13-26-22-19(20)10-12-25-22/h2-13H,1H3,(H,25,26)(H,27,31)
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n/an/a 15n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50154851
PNG
(CHEMBL3774683)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-13-27-8-9-28-19)29-30-22(31)34-12-2-10-32-14-16-7-11-33(20(16)15-32)18-5-3-17(4-6-18)23(24,25)26/h3-6,8-9,13,16,20H,2,7,10-12,14-15H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50154812
PNG
(CHEMBL3775461)
Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1CC(O)=O
Show InChI InChI=1S/C25H22N2O5S/c1-18-22(25(30)27(26(18)17-24(28)29)20-11-4-2-5-12-20)16-19-10-8-9-15-23(19)33(31,32)21-13-6-3-7-14-21/h2-15H,16-17H2,1H3,(H,28,29)
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n/an/a 970n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [35S]-GTPgammaS from CRTH2 receptor (unknown origin) expressed in CHOK1 cell membrane after 1 hr by liquid scintillation counter


Eur J Med Chem 113: 102-33 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.023
BindingDB Entry DOI: 10.7270/Q2K64KXM
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50154808
PNG
(CHEMBL3774722)
Show SMILES OC(=O)Cc1ccc(=O)n(Cc2ccccc2S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H17NO5S/c22-19-11-10-15(12-20(23)24)13-21(19)14-16-6-4-5-9-18(16)27(25,26)17-7-2-1-3-8-17/h1-11,13H,12,14H2,(H,23,24)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [35S]-GTPgammaS from CRTH2 receptor (unknown origin) expressed in CHOK1 cell membrane after 1 hr by liquid scintillation counter


Eur J Med Chem 113: 102-33 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.023
BindingDB Entry DOI: 10.7270/Q2K64KXM
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50154807
PNG
(CHEMBL3774574)
Show SMILES OC(=O)Cc1cc(Cl)c(=O)n(Cc2ccccc2S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H16ClNO5S/c21-17-10-14(11-19(23)24)12-22(20(17)25)13-15-6-4-5-9-18(15)28(26,27)16-7-2-1-3-8-16/h1-10,12H,11,13H2,(H,23,24)
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n/an/a 860n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [35S]-GTPgammaS from CRTH2 receptor (unknown origin) expressed in CHOK1 cell membrane after 1 hr by liquid scintillation counter


Eur J Med Chem 113: 102-33 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.023
BindingDB Entry DOI: 10.7270/Q2K64KXM
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50154805
PNG
(CHEMBL3775213)
Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(F)cc2)c2c(CCCC2=O)n1CC(O)=O
Show InChI InChI=1S/C24H22FNO5S/c1-15-19(24-20(6-4-7-21(24)27)26(15)14-23(28)29)13-16-5-2-3-8-22(16)32(30,31)18-11-9-17(25)10-12-18/h2-3,5,8-12H,4,6-7,13-14H2,1H3,(H,28,29)
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n/an/a 2n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [35S]-GTPgammaS from CRTH2 receptor (unknown origin) expressed in CHOK1 cell membrane after 1 hr by liquid scintillation counter


Eur J Med Chem 113: 102-33 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.023
BindingDB Entry DOI: 10.7270/Q2K64KXM
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50154851
PNG
(CHEMBL3774683)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-13-27-8-9-28-19)29-30-22(31)34-12-2-10-32-14-16-7-11-33(20(16)15-32)18-5-3-17(4-6-18)23(24,25)26/h3-6,8-9,13,16,20H,2,7,10-12,14-15H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50154851
PNG
(CHEMBL3774683)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-13-27-8-9-28-19)29-30-22(31)34-12-2-10-32-14-16-7-11-33(20(16)15-32)18-5-3-17(4-6-18)23(24,25)26/h3-6,8-9,13,16,20H,2,7,10-12,14-15H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50154851
PNG
(CHEMBL3774683)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-13-27-8-9-28-19)29-30-22(31)34-12-2-10-32-14-16-7-11-33(20(16)15-32)18-5-3-17(4-6-18)23(24,25)26/h3-6,8-9,13,16,20H,2,7,10-12,14-15H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154860
PNG
(CHEMBL3774490)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1
Show InChI InChI=1S/C24H27F3N6S/c1-31-22(17-7-10-28-11-8-17)29-30-23(31)34-14-2-12-32-15-18-9-13-33(21(18)16-32)20-5-3-19(4-6-20)24(25,26)27/h3-8,10-11,18,21H,2,9,12-16H2,1H3
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n/an/a>100n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154863
PNG
(CHEMBL3775256)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1nccs1
Show InChI InChI=1S/C22H25F3N6S2/c1-29-19(20-26-8-12-32-20)27-28-21(29)33-11-2-9-30-13-15-7-10-31(18(15)14-30)17-5-3-16(4-6-17)22(23,24)25/h3-6,8,12,15,18H,2,7,9-11,13-14H2,1H3
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n/an/a>100n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154867
PNG
(CHEMBL3775810)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-7-9-27-15-28-19)29-30-22(31)34-12-2-10-32-13-16-8-11-33(20(16)14-32)18-5-3-17(4-6-18)23(24,25)26/h3-7,9,15-16,20H,2,8,10-14H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154869
PNG
(CHEMBL3774519)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1cnccn1
Show InChI InChI=1S/C22H24F3N7S/c1-30-21(18-11-26-4-5-27-18)28-29-22(30)33-8-2-6-31-12-14-3-7-32(19(14)13-31)20-16(24)9-15(23)10-17(20)25/h4-5,9-11,14,19H,2-3,6-8,12-13H2,1H3
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n/an/a 501n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154870
PNG
(CHEMBL3775771)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2F)nnc1-c1cnccn1
Show InChI InChI=1S/C22H25F2N7S/c1-29-21(18-12-25-7-8-26-18)27-28-22(29)32-11-3-9-30-13-15-6-10-31(19(15)14-30)20-16(23)4-2-5-17(20)24/h2,4-5,7-8,12,15,19H,3,6,9-11,13-14H2,1H3
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n/an/a 2.51E+3n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50154851
PNG
(CHEMBL3774683)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-13-27-8-9-28-19)29-30-22(31)34-12-2-10-32-14-16-7-11-33(20(16)15-32)18-5-3-17(4-6-18)23(24,25)26/h3-6,8-9,13,16,20H,2,7,10-12,14-15H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2C9 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154851
PNG
(CHEMBL3774683)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-13-27-8-9-28-19)29-30-22(31)34-12-2-10-32-14-16-7-11-33(20(16)15-32)18-5-3-17(4-6-18)23(24,25)26/h3-6,8-9,13,16,20H,2,7,10-12,14-15H2,1H3
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n/an/a 251n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154851
PNG
(CHEMBL3774683)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-13-27-8-9-28-19)29-30-22(31)34-12-2-10-32-14-16-7-11-33(20(16)15-32)18-5-3-17(4-6-18)23(24,25)26/h3-6,8-9,13,16,20H,2,7,10-12,14-15H2,1H3
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n/an/a 126n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50154851
PNG
(CHEMBL3774683)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-13-27-8-9-28-19)29-30-22(31)34-12-2-10-32-14-16-7-11-33(20(16)15-32)18-5-3-17(4-6-18)23(24,25)26/h3-6,8-9,13,16,20H,2,7,10-12,14-15H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2C19 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 ...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50154813
PNG
(CHEMBL3774451)
Show SMILES Fc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1C(F)(F)F
Show InChI InChI=1S/C23H13F5N6O2/c24-12-1-4-14(5-2-12)34-20(23(26,27)28)19(32-33-34)22(35)31-13-3-6-18(16(25)11-13)36-17-8-10-30-21-15(17)7-9-29-21/h1-11H,(H,29,30)(H,31,35)
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n/an/a 86n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50154813
PNG
(CHEMBL3774451)
Show SMILES Fc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1C(F)(F)F
Show InChI InChI=1S/C23H13F5N6O2/c24-12-1-4-14(5-2-12)34-20(23(26,27)28)19(32-33-34)22(35)31-13-3-6-18(16(25)11-13)36-17-8-10-30-21-15(17)7-9-29-21/h1-11H,(H,29,30)(H,31,35)
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n/an/a 4.60n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154813
PNG
(CHEMBL3774451)
Show SMILES Fc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1C(F)(F)F
Show InChI InChI=1S/C23H13F5N6O2/c24-12-1-4-14(5-2-12)34-20(23(26,27)28)19(32-33-34)22(35)31-13-3-6-18(16(25)11-13)36-17-8-10-30-21-15(17)7-9-29-21/h1-11H,(H,29,30)(H,31,35)
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n/an/a 1.70n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154822
PNG
(CHEMBL3774984)
Show SMILES COc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1C(F)(F)F
Show InChI InChI=1S/C24H16F4N6O3/c1-36-15-5-3-14(4-6-15)34-21(24(26,27)28)20(32-33-34)23(35)31-13-2-7-19(17(25)12-13)37-18-9-11-30-22-16(18)8-10-29-22/h2-12H,1H3,(H,29,30)(H,31,35)
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n/an/a 13n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50154814
PNG
(CHEMBL3775648)
Show SMILES Fc1ccc(cc1F)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)cc2)c1C(F)(F)F
Show InChI InChI=1S/C23H13F5N6O2/c24-16-6-3-13(11-17(16)25)34-20(23(26,27)28)19(32-33-34)22(35)31-12-1-4-14(5-2-12)36-18-8-10-30-21-15(18)7-9-29-21/h1-11H,(H,29,30)(H,31,35)
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n/an/a 21n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50154813
PNG
(CHEMBL3774451)
Show SMILES Fc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1C(F)(F)F
Show InChI InChI=1S/C23H13F5N6O2/c24-12-1-4-14(5-2-12)34-20(23(26,27)28)19(32-33-34)22(35)31-13-3-6-18(16(25)11-13)36-17-8-10-30-21-15(17)7-9-29-21/h1-11H,(H,29,30)(H,31,35)
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n/an/a 2.10n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50154813
PNG
(CHEMBL3774451)
Show SMILES Fc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1C(F)(F)F
Show InChI InChI=1S/C23H13F5N6O2/c24-12-1-4-14(5-2-12)34-20(23(26,27)28)19(32-33-34)22(35)31-13-3-6-18(16(25)11-13)36-17-8-10-30-21-15(17)7-9-29-21/h1-11H,(H,29,30)(H,31,35)
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n/an/a 325n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cKit (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154813
PNG
(CHEMBL3774451)
Show SMILES Fc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1C(F)(F)F
Show InChI InChI=1S/C23H13F5N6O2/c24-12-1-4-14(5-2-12)34-20(23(26,27)28)19(32-33-34)22(35)31-13-3-6-18(16(25)11-13)36-17-8-10-30-21-15(17)7-9-29-21/h1-11H,(H,29,30)(H,31,35)
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Article
PubMed
n/an/a 582n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1680-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.059
BindingDB Entry DOI: 10.7270/Q2FF3V7R
More data for this
Ligand-Target Pair