Found 69 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM50240575
(CHEMBL4089245)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C23H22F2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged FGFR4 cytoplasmic domain (781 to 133 residues) expressed in baculovirus expression system using... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM50233444
(CHEMBL4061083)Show SMILES COc1cc(OC)c(Cl)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1Cl Show InChI InChI=1S/C23H22Cl2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged FGFR4 cytoplasmic domain (781 to 133 residues) expressed in baculovirus expression system using... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM50240582
(CHEMBL4081380)Show SMILES CCN1CCN(CC1)c1cc(C)c(Nc2ncc(OCc3c(F)c(OC)cc(OC)c3F)cn2)c(NC(=O)C=C)c1 Show InChI InChI=1S/C29H34F2N6O4/c1-6-25(38)34-22-13-19(37-10-8-36(7-2)9-11-37)12-18(3)28(22)35-29-32-15-20(16-33-29)41-17-21-26(30)23(39-4)14-24(40-5)27(21)31/h6,12-16H,1,7-11,17H2,2-5H3,(H,34,38)(H,32,33,35) | PDB
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| Article
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM50240581
(CHEMBL4099401)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cc(cc3NC(=O)C=C)N3CCN(CC3)C(C)=O)nc2)c1F Show InChI InChI=1S/C29H32F2N6O5/c1-6-25(39)34-22-12-19(37-9-7-36(8-10-37)18(3)38)11-17(2)28(22)35-29-32-14-20(15-33-29)42-16-21-26(30)23(40-4)13-24(41-5)27(21)31/h6,11-15H,1,7-10,16H2,2-5H3,(H,34,39)(H,32,33,35) | PDB
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PC cid
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UniChem
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| Article
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged FGFR4 cytoplasmic domain (781 to 133 residues) expressed in baculovirus expression system using... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM50240580
(CHEMBL4070782)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3ccccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C22H20F2N4O4/c1-4-19(29)27-15-7-5-6-8-16(15)28-22-25-10-13(11-26-22)32-12-14-20(23)17(30-2)9-18(31-3)21(14)24/h4-11H,1,12H2,2-3H3,(H,27,29)(H,25,26,28) | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged FGFR4 cytoplasmic domain (781 to 133 residues) expressed in baculovirus expression system using... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM50240573
(CHEMBL4077859)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m0/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged FGFR4 cytoplasmic domain (781 to 133 residues) expressed in baculovirus expression system using... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM50240585
(CHEMBL4070631)Show SMILES CCN1CCN(CC1)c1cc(C)c(Nc2ncc(OCc3c(F)c(OC)cc(OC)c3F)cn2)c(NC(=O)C(C)=C)c1 Show InChI InChI=1S/C30H36F2N6O4/c1-7-37-8-10-38(11-9-37)20-12-19(4)28(23(13-20)35-29(39)18(2)3)36-30-33-15-21(16-34-30)42-17-22-26(31)24(40-5)14-25(41-6)27(22)32/h12-16H,2,7-11,17H2,1,3-6H3,(H,35,39)(H,33,34,36) | PDB
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| Article
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM50233461
(CHEMBL4068896)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32) | PDB
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PC cid
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| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged FGFR4 cytoplasmic domain (781 to 133 residues) expressed in baculovirus expression system using... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50240580
(CHEMBL4070782)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3ccccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C22H20F2N4O4/c1-4-19(29)27-15-7-5-6-8-16(15)28-22-25-10-13(11-26-22)32-12-14-20(23)17(30-2)9-18(31-3)21(14)24/h4-11H,1,12H2,2-3H3,(H,27,29)(H,25,26,28) | PDB
MMDB
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Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged FGFR1 cytoplasmic domain (308 to 731 residues) expressed in baculovirus expression system using tyr 04 as ... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| Article
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| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM50240584
(CHEMBL4073517)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COCC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C21H24F2N4O5/c1-4-18(28)26-14-5-6-31-11-15(14)27-21-24-8-12(9-25-21)32-10-13-19(22)16(29-2)7-17(30-3)20(13)23/h4,7-9,14-15H,1,5-6,10-11H2,2-3H3,(H,26,28)(H,24,25,27)/t14-,15+/m0/s1 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM50240577
(CHEMBL4096950)Show SMILES COc1cc(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)cc(OC)c1 Show InChI InChI=1S/C23H24N4O4/c1-5-21(28)26-20-8-6-7-15(2)22(20)27-23-24-12-19(13-25-23)31-14-16-9-17(29-3)11-18(10-16)30-4/h5-13H,1,14H2,2-4H3,(H,26,28)(H,24,25,27) | PDB
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| n/a | n/a | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged FGFR4 cytoplasmic domain (781 to 133 residues) expressed in baculovirus expression system using... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50233461
(CHEMBL4068896)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32) | PDB
MMDB
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CHEMBL
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PC sid
UniChem
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| Article
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate pretreated for 10 mins followed by substrate addition measured after 10 ... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50233461
(CHEMBL4068896)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32) | PDB
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CHEMBL
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM50240583
(CHEMBL4085712)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3CCCC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C22H26F2N4O4/c1-4-19(29)27-15-7-5-6-8-16(15)28-22-25-10-13(11-26-22)32-12-14-20(23)17(30-2)9-18(31-3)21(14)24/h4,9-11,15-16H,1,5-8,12H2,2-3H3,(H,27,29)(H,25,26,28)/t15-,16+/m0/s1 | PDB
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PC sid
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Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50240575
(CHEMBL4089245)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C23H22F2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
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| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50233461
(CHEMBL4068896)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate pretreated for 10 mins followed by substrate addition measured after... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50233461
(CHEMBL4068896)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged FGFR1 cytoplasmic domain (308 to 731 residues) expressed in baculovirus expression system using tyr 04 as ... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50240582
(CHEMBL4081380)Show SMILES CCN1CCN(CC1)c1cc(C)c(Nc2ncc(OCc3c(F)c(OC)cc(OC)c3F)cn2)c(NC(=O)C=C)c1 Show InChI InChI=1S/C29H34F2N6O4/c1-6-25(38)34-22-13-19(37-10-8-36(7-2)9-11-37)12-18(3)28(22)35-29-32-15-20(16-33-29)41-17-21-26(30)23(39-4)14-24(40-5)27(21)31/h6,12-16H,1,7-11,17H2,2-5H3,(H,34,38)(H,32,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50233461
(CHEMBL4068896)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50240583
(CHEMBL4085712)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3CCCC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C22H26F2N4O4/c1-4-19(29)27-15-7-5-6-8-16(15)28-22-25-10-13(11-26-22)32-12-14-20(23)17(30-2)9-18(31-3)21(14)24/h4,9-11,15-16H,1,5-8,12H2,2-3H3,(H,27,29)(H,25,26,28)/t15-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM50240574
(CHEMBL4064147)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@H]3COC[C@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged FGFR4 cytoplasmic domain (781 to 133 residues) expressed in baculovirus expression system using... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50240573
(CHEMBL4077859)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged FGFR1 cytoplasmic domain (308 to 731 residues) expressed in baculovirus expression system using tyr 04 as ... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50240575
(CHEMBL4089245)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C23H22F2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50233444
(CHEMBL4061083)Show SMILES COc1cc(OC)c(Cl)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1Cl Show InChI InChI=1S/C23H22Cl2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged FGFR1 cytoplasmic domain (308 to 731 residues) expressed in baculovirus expression system using tyr 04 as ... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50240585
(CHEMBL4070631)Show SMILES CCN1CCN(CC1)c1cc(C)c(Nc2ncc(OCc3c(F)c(OC)cc(OC)c3F)cn2)c(NC(=O)C(C)=C)c1 Show InChI InChI=1S/C30H36F2N6O4/c1-7-37-8-10-38(11-9-37)20-12-19(4)28(23(13-20)35-29(39)18(2)3)36-30-33-15-21(16-34-30)42-17-22-26(31)24(40-5)14-25(41-6)27(22)32/h12-16H,2,7-11,17H2,1,3-6H3,(H,35,39)(H,33,34,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50240575
(CHEMBL4089245)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C23H22F2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate pretreated for 10 mins followed by substrate addition measured after 10 m... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50240574
(CHEMBL4064147)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@H]3COC[C@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50240575
(CHEMBL4089245)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C23H22F2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50240581
(CHEMBL4099401)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cc(cc3NC(=O)C=C)N3CCN(CC3)C(C)=O)nc2)c1F Show InChI InChI=1S/C29H32F2N6O5/c1-6-25(39)34-22-12-19(37-9-7-36(8-10-37)18(3)38)11-17(2)28(22)35-29-32-14-20(15-33-29)42-16-21-26(30)23(40-4)13-24(41-5)27(21)31/h6,11-15H,1,7-10,16H2,2-5H3,(H,34,39)(H,32,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50240575
(CHEMBL4089245)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C23H22F2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50233461
(CHEMBL4068896)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human ITK using myelin basic protein as substrate measured after 120 mins in presence of [gamma33P]ATP by P81 ion exchange chromatograp... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50240573
(CHEMBL4077859)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50240584
(CHEMBL4073517)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COCC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C21H24F2N4O5/c1-4-18(28)26-14-5-6-31-11-15(14)27-21-24-8-12(9-25-21)32-10-13-19(22)16(29-2)7-17(30-3)20(13)23/h4,7-9,14-15H,1,5-6,10-11H2,2-3H3,(H,26,28)(H,24,25,27)/t14-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50240575
(CHEMBL4089245)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C23H22F2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human VEGFR2 using poly[Glu:Tyr] (4:1) as substrate measured after 120 mins in presence of [gamma33P]ATP by P81 ion exchange chromatogr... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50240578
(CHEMBL4069755)Show SMILES COc1cc(OC)c(Cl)c(C(C)Oc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1Cl Show InChI InChI=1S/C24H24Cl2N4O4/c1-6-19(31)29-16-9-7-8-13(2)23(16)30-24-27-11-15(12-28-24)34-14(3)20-21(25)17(32-4)10-18(33-5)22(20)26/h6-12,14H,1H2,2-5H3,(H,29,31)(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged FGFR1 cytoplasmic domain (308 to 731 residues) expressed in baculovirus expression system using tyr 04 as ... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50233461
(CHEMBL4068896)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50240573
(CHEMBL4077859)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate measured after 120 mins in presence of [gamma33P]ATP by P81 ion exchange chromatographic m... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50240575
(CHEMBL4089245)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C23H22F2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate measured after 120 mins in presence of [gamma33P]ATP by P81 ion exchange chromatographic m... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240575
(CHEMBL4089245)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C23H22F2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FMS using poly[Glu:Tyr] (4:1) as substrate measured after 120 mins in presence of [gamma33P]ATP by P81 ion exchange chromatograph... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50240577
(CHEMBL4096950)Show SMILES COc1cc(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)cc(OC)c1 Show InChI InChI=1S/C23H24N4O4/c1-5-21(28)26-20-8-6-7-15(2)22(20)27-23-24-12-19(13-25-23)31-14-16-9-17(29-3)11-18(10-16)30-4/h5-13H,1,14H2,2-4H3,(H,26,28)(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged FGFR1 cytoplasmic domain (308 to 731 residues) expressed in baculovirus expression system using tyr 04 as ... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50233461
(CHEMBL4068896)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240573
(CHEMBL4077859)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50240573
(CHEMBL4077859)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50240575
(CHEMBL4089245)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C23H22F2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50240573
(CHEMBL4077859)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM50240578
(CHEMBL4069755)Show SMILES COc1cc(OC)c(Cl)c(C(C)Oc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1Cl Show InChI InChI=1S/C24H24Cl2N4O4/c1-6-19(31)29-16-9-7-8-13(2)23(16)30-24-27-11-15(12-28-24)34-14(3)20-21(25)17(32-4)10-18(33-5)22(20)26/h6-12,14H,1H2,2-5H3,(H,29,31)(H,27,28,30) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged FGFR4 cytoplasmic domain (781 to 133 residues) expressed in baculovirus expression system using... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50240575
(CHEMBL4089245)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C23H22F2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate measured after 120 mins in presence of [gamma33P]ATP by P81 ion exchange chromatographic m... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Tec
(Homo sapiens (Human)) | BDBM50240575
(CHEMBL4089245)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C23H22F2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human TEC using poly[Glu:Tyr] (4:1) as substrate measured after 120 mins in presence of [gamma33P]ATP by P81 ion exchange chromatograph... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50240573
(CHEMBL4077859)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m0/s1 | PDB
MMDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50233461
(CHEMBL4068896)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32) | PDB
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR using poly[Glu:Tyr] (4:1) as substrate measured after 120 mins in presence of [gamma33P]ATP by P81 ion exchange chromatograp... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Tec
(Homo sapiens (Human)) | BDBM50233461
(CHEMBL4068896)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32) | PDB
MMDB
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CHEMBL
MCE
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50233461
(CHEMBL4068896)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32) | PDB
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Tec
(Homo sapiens (Human)) | BDBM50240573
(CHEMBL4077859)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50233461
(CHEMBL4068896)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32) | PDB
UniProtKB/SwissProt
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| Article
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| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate pretreated for 10 mins followed by substrate addition measured aft... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50240573
(CHEMBL4077859)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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CHEMBL
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| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50233461
(CHEMBL4068896)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32) | PDB
MMDB
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CHEMBL
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PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate pretreated for 10 mins followed by substrate addition measured after 10 ... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50240573
(CHEMBL4077859)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50240573
(CHEMBL4077859)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50240575
(CHEMBL4089245)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C23H22F2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50240573
(CHEMBL4077859)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate pretreated for 10 mins followed by substrate addition measured aft... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50240575
(CHEMBL4089245)Show SMILES COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F Show InChI InChI=1S/C23H22F2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h5-11H,1,12H2,2-4H3,(H,28,30)(H,26,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate pretreated for 10 mins followed by substrate addition measured after 10 ... |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50240573
(CHEMBL4077859)Show SMILES COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r| Show InChI InChI=1S/C20H22F2N4O5/c1-4-17(27)25-13-9-30-10-14(13)26-20-23-6-11(7-24-20)31-8-12-18(21)15(28-2)5-16(29-3)19(12)22/h4-7,13-14H,1,8-10H2,2-3H3,(H,25,27)(H,23,24,26)/t13-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Tec
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.28E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.78E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec (Shanghai) Co., Ltd.
Curated by ChEMBL
| Assay Description
Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex |
Bioorg Med Chem Lett 27: 2420-2423 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.014
BindingDB Entry DOI: 10.7270/Q2M90BT6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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