Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 434.4 BDBM406663Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 25 hits in this display   

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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 983-7 (2005) Article DOI: 10.1016/j.bmcl.2022.128891 BindingDB Entry DOI: 10.7270/Q2P84GV3
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	56.9	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	56.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were serially diluted in DMSO then further diluted in 1× kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				Citation and Details BindingDB Entry DOI: 10.7270/Q23B6383
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	72.6	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	72.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were serially diluted in DMSO then further diluted in 1× kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				Citation and Details BindingDB Entry DOI: 10.7270/Q23B6383
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	78.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were serially diluted in DMSO then further diluted in 1× kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				Citation and Details BindingDB Entry DOI: 10.7270/Q23B6383
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	78.5	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	85.3	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	85.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were serially diluted in DMSO then further diluted in 1× kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				Citation and Details BindingDB Entry DOI: 10.7270/Q23B6383
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	93.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were serially diluted in DMSO then further diluted in 1× kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				Citation and Details BindingDB Entry DOI: 10.7270/Q23B6383
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	93.2	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 983-7 (2005) Article DOI: 10.1016/j.bmcl.2022.128891 BindingDB Entry DOI: 10.7270/Q2P84GV3
					More data for this Ligand-Target Pair
JAK3/JAK1 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 983-7 (2005) Article DOI: 10.1016/j.bmcl.2022.128891 BindingDB Entry DOI: 10.7270/Q2P84GV3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 983-7 (2005) Article DOI: 10.1016/j.bmcl.2022.128891 BindingDB Entry DOI: 10.7270/Q2P84GV3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 983-7 (2005) Article DOI: 10.1016/j.bmcl.2022.128891 BindingDB Entry DOI: 10.7270/Q2P84GV3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 983-7 (2005) Article DOI: 10.1016/j.bmcl.2022.128891 BindingDB Entry DOI: 10.7270/Q2P84GV3
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 983-7 (2005) Article DOI: 10.1016/j.bmcl.2022.128891 BindingDB Entry DOI: 10.7270/Q2P84GV3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 983-7 (2005) Article DOI: 10.1016/j.bmcl.2022.128891 BindingDB Entry DOI: 10.7270/Q2P84GV3
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 983-7 (2005) Article DOI: 10.1016/j.bmcl.2022.128891 BindingDB Entry DOI: 10.7270/Q2P84GV3
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 983-7 (2005) Article DOI: 10.1016/j.bmcl.2022.128891 BindingDB Entry DOI: 10.7270/Q2P84GV3
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 983-7 (2005) Article DOI: 10.1016/j.bmcl.2022.128891 BindingDB Entry DOI: 10.7270/Q2P84GV3
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 983-7 (2005) Article DOI: 10.1016/j.bmcl.2022.128891 BindingDB Entry DOI: 10.7270/Q2P84GV3
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 983-7 (2005) Article DOI: 10.1016/j.bmcl.2022.128891 BindingDB Entry DOI: 10.7270/Q2P84GV3
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 983-7 (2005) Article DOI: 10.1016/j.bmcl.2022.128891 BindingDB Entry DOI: 10.7270/Q2P84GV3
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 983-7 (2005) Article DOI: 10.1016/j.bmcl.2022.128891 BindingDB Entry DOI: 10.7270/Q2P84GV3
					More data for this Ligand-Target Pair