BDBM50240573 CHEMBL4077859

SMILES: COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F

InChI Key: InChIKey=FPLYXYDSEPGNHS-UONOGXRCSA-N

Data: 14 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50240573   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
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
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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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
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
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 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
Macrophage colony stimulating 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 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
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
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 UniProtKB/SwissProt B.MOAD 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
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 UniProtKB/SwissProt 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
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 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 UniProtKB/TrEMBL 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 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 UniProtKB/TrEMBL 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 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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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))	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 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 UniProtKB/TrEMBL 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