BDBM406679 US10336752, Compound 17::US10968236, Compound I-63::US11040967, Compound 17

SMILES: Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2C[C@@H]3COC[C@@H]3C2)c2C(=O)NCc2n1

InChI Key: InChIKey=ODBNOQBNPBRPNZ-IYBDPMFKSA-N

Data: 2 KI  2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 406679   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406679 (US10336752, Compound 17 | US10968236, Compound I-6...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2C[C@@H]3COC[C@@H]3C2)c2C(=O)NCc2n1 Show InChI InChI=1S/C26H22F2N4O3/c27-18-2-1-3-19(28)23(18)20-8-21(24-22(31-20)9-29-25(24)33)30-17-6-4-14(5-7-17)26(34)32-10-15-12-35-13-16(15)11-32/h1-8,15-16H,9-13H2,(H,29,33)(H,30,31)/t15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Tyk2 & JAK2: The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using micro...				US Patent US10968236 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM406679 (US10336752, Compound 17 | US10968236, Compound I-6...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2C[C@@H]3COC[C@@H]3C2)c2C(=O)NCc2n1 Show InChI InChI=1S/C26H22F2N4O3/c27-18-2-1-3-19(28)23(18)20-8-21(24-22(31-20)9-29-25(24)33)30-17-6-4-14(5-7-17)26(34)32-10-15-12-35-13-16(15)11-32/h1-8,15-16H,9-13H2,(H,29,33)(H,30,31)/t15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Tyk2 & JAK2: The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using micro...				US Patent US10968236 (2021)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406679 (US10336752, Compound 17 | US10968236, Compound I-6...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2C[C@@H]3COC[C@@H]3C2)c2C(=O)NCc2n1 Show InChI InChI=1S/C26H22F2N4O3/c27-18-2-1-3-19(28)23(18)20-8-21(24-22(31-20)9-29-25(24)33)30-17-6-4-14(5-7-17)26(34)32-10-15-12-35-13-16(15)11-32/h1-8,15-16H,9-13H2,(H,29,33)(H,30,31)/t15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	88.6	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 1× kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US11040967 (2021)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406679 (US10336752, Compound 17 | US10968236, Compound I-6...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2C[C@@H]3COC[C@@H]3C2)c2C(=O)NCc2n1 Show InChI InChI=1S/C26H22F2N4O3/c27-18-2-1-3-19(28)23(18)20-8-21(24-22(31-20)9-29-25(24)33)30-17-6-4-14(5-7-17)26(34)32-10-15-12-35-13-16(15)11-32/h1-8,15-16H,9-13H2,(H,29,33)(H,30,31)/t15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	88.6	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