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SMILES: COc1c(F)cccc1Nc1cc(Nc2cccc(n2)C2CC2)nc2[nH]n(C)c(=O)c12

InChI Key: InChIKey=OSAYBDLCZIYKGU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 399643   

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
Non-receptor tyrosine-protein kinase TYK2 [V731I] (Homo sapiens (Human))	BDBM399643 (US10323036, Compound I-87 | US10793574, Compound I...) Show SMILES COc1c(F)cccc1Nc1cc(Nc2cccc(n2)C2CC2)nc2[nH]n(C)c(=O)c12 Show InChI InChI=1S/C22H21FN6O2/c1-29-22(30)19-16(24-15-7-3-5-13(23)20(15)31-2)11-18(27-21(19)28-29)26-17-8-4-6-14(25-17)12-9-10-12/h3-8,11-12H,9-10H2,1-2H3,(H3,24,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases					Assay Description Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...				Anal Biochem 395: 195-204 (2009) BindingDB Entry DOI: 10.7270/Q2X63Q9X
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [556-888] (Homo sapiens (Human))	BDBM399643 (US10323036, Compound I-87 | US10793574, Compound I...) Show SMILES COc1c(F)cccc1Nc1cc(Nc2cccc(n2)C2CC2)nc2[nH]n(C)c(=O)c12 Show InChI InChI=1S/C22H21FN6O2/c1-29-22(30)19-16(24-15-7-3-5-13(23)20(15)31-2)11-18(27-21(19)28-29)26-17-8-4-6-14(25-17)12-9-10-12/h3-8,11-12H,9-10H2,1-2H3,(H3,24,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The binding reaction was assembled by combining 16 μl of DNA-tagged kinase extract, 3.8 μl liganded affinity beads, and 0.18 μl test c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27291
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [556-888] (Homo sapiens (Human))	BDBM399643 (US10323036, Compound I-87 | US10793574, Compound I...) Show SMILES COc1c(F)cccc1Nc1cc(Nc2cccc(n2)C2CC2)nc2[nH]n(C)c(=O)c12 Show InChI InChI=1S/C22H21FN6O2/c1-29-22(30)19-16(24-15-7-3-5-13(23)20(15)31-2)11-18(27-21(19)28-29)26-17-8-4-6-14(25-17)12-9-10-12/h3-8,11-12H,9-10H2,1-2H3,(H3,24,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...				US Patent US10793574 (2020) BindingDB Entry DOI: 10.7270/Q2WM1HH6
					More data for this Ligand-Target Pair