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SMILES: O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)n2n1)C1CC1

InChI Key: InChIKey=SPMMQJFOUIZPPM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50031742   

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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50031742 (CHEMBL3360348 | US10206907, Compound 59) Show SMILES O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C19H19N5O3S/c25-18(13-4-5-13)21-19-20-17-3-1-2-16(24(17)22-19)12-6-8-14(9-7-12)23-28(26,27)15-10-11-15/h1-3,6-9,13,15,23H,4-5,10-11H2,(H,21,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos NV Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK1				J Med Chem 57: 9323-42 (2014) Article DOI: 10.1021/jm501262q BindingDB Entry DOI: 10.7270/Q2GH9KK6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [781-1124] (Homo sapiens (Human))	BDBM50031742 (CHEMBL3360348 | US10206907, Compound 59) Show SMILES O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C19H19N5O3S/c25-18(13-4-5-13)21-19-20-17-3-1-2-16(24(17)22-19)12-6-8-14(9-7-12)23-28(26,27)15-10-11-15/h1-3,6-9,13,15,23H,4-5,10-11H2,(H,21,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description Recombinant human JAK3 catalytic domain (amino acids 781-1124; catalog number PV3855) was purchased from Invitrogen. 0.025 mU of JAK3 was incubated w...				US Patent US10206907 (2019) BindingDB Entry DOI: 10.7270/Q23J3G3B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [808-1132] (Homo sapiens (Human))	BDBM50031742 (CHEMBL3360348 | US10206907, Compound 59) Show SMILES O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C19H19N5O3S/c25-18(13-4-5-13)21-19-20-17-3-1-2-16(24(17)22-19)12-6-8-14(9-7-12)23-28(26,27)15-10-11-15/h1-3,6-9,13,15,23H,4-5,10-11H2,(H,21,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description Recombinant human JAK2 catalytic domain (amino acids 808-1132; catalog number PV4210) was purchased from Invitrogen. 0.025 mU of JAK2 was incubated w...				US Patent US10206907 (2019) BindingDB Entry DOI: 10.7270/Q23J3G3B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [850-1154] (Homo sapiens (Human))	BDBM50031742 (CHEMBL3360348 | US10206907, Compound 59) Show SMILES O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C19H19N5O3S/c25-18(13-4-5-13)21-19-20-17-3-1-2-16(24(17)22-19)12-6-8-14(9-7-12)23-28(26,27)15-10-11-15/h1-3,6-9,13,15,23H,4-5,10-11H2,(H,21,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description Recombinant human JAK1 catalytic domain (amino acids 850-1154; catalog number 08-144) was purchased from Carna Biosciences. 10 ng of JAK1 was incubat...				US Patent US10206907 (2019) BindingDB Entry DOI: 10.7270/Q23J3G3B
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [871-1187] (Homo sapiens (Human))	BDBM50031742 (CHEMBL3360348 | US10206907, Compound 59) Show SMILES O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C19H19N5O3S/c25-18(13-4-5-13)21-19-20-17-3-1-2-16(24(17)22-19)12-6-8-14(9-7-12)23-28(26,27)15-10-11-15/h1-3,6-9,13,15,23H,4-5,10-11H2,(H,21,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description Recombinant human TYK2 catalytic domain (amino acids 871-1187; catalog number 08-147) was purchased from Carna biosciences. 5 ng of TYK2 was incubate...				US Patent US10206907 (2019) BindingDB Entry DOI: 10.7270/Q23J3G3B
					More data for this Ligand-Target Pair