null

SMILES: COCc1ccc(Nc2cc(Nc3ccc(C)c(n3)C(F)(F)F)nc3[nH]n(C)c(=O)c23)c(OC)c1

InChI Key: InChIKey=NIKMYHUMTLKMQP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 399649   

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))	BDBM399649 (US10323036, Compound I-93 | US10793574, Compound I...) Show SMILES COCc1ccc(Nc2cc(Nc3ccc(C)c(n3)C(F)(F)F)nc3[nH]n(C)c(=O)c23)c(OC)c1 Show InChI InChI=1S/C23H23F3N6O3/c1-12-5-8-17(29-20(12)23(24,25)26)28-18-10-15(19-21(30-18)31-32(2)22(19)33)27-14-7-6-13(11-34-3)9-16(14)35-4/h5-10H,11H2,1-4H3,(H3,27,28,29,30,31)	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))	BDBM399649 (US10323036, Compound I-93 | US10793574, Compound I...) Show SMILES COCc1ccc(Nc2cc(Nc3ccc(C)c(n3)C(F)(F)F)nc3[nH]n(C)c(=O)c23)c(OC)c1 Show InChI InChI=1S/C23H23F3N6O3/c1-12-5-8-17(29-20(12)23(24,25)26)28-18-10-15(19-21(30-18)31-32(2)22(19)33)27-14-7-6-13(11-34-3)9-16(14)35-4/h5-10H,11H2,1-4H3,(H3,27,28,29,30,31)	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))	BDBM399649 (US10323036, Compound I-93 | US10793574, Compound I...) Show SMILES COCc1ccc(Nc2cc(Nc3ccc(C)c(n3)C(F)(F)F)nc3[nH]n(C)c(=O)c23)c(OC)c1 Show InChI InChI=1S/C23H23F3N6O3/c1-12-5-8-17(29-20(12)23(24,25)26)28-18-10-15(19-21(30-18)31-32(2)22(19)33)27-14-7-6-13(11-34-3)9-16(14)35-4/h5-10H,11H2,1-4H3,(H3,27,28,29,30,31)	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