BDBM103732 US10206907, Compound 130::US8563545, 6

SMILES: CN1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1

InChI Key: InChIKey=SXWRNFZIFKCSFO-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 103732   

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))	BDBM103732 (US10206907, Compound 130 | US11000528, Cpd # 6 | U...) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1 Show InChI InChI=1S/C22H26N6O/c1-26-11-13-27(14-12-26)15-16-5-7-17(8-6-16)19-3-2-4-20-23-22(25-28(19)20)24-21(29)18-9-10-18/h2-8,18H,9-15H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos NV US Patent					Assay Description In vitro inhibition assay using various enzyme.				US Patent US8563545 (2013) BindingDB Entry DOI: 10.7270/Q2TX3D1X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM103732 (US10206907, Compound 130 | US11000528, Cpd # 6 | U...) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1 Show InChI InChI=1S/C22H26N6O/c1-26-11-13-27(14-12-26)15-16-5-7-17(8-6-16)19-3-2-4-20-23-22(25-28(19)20)24-21(29)18-9-10-18/h2-8,18H,9-15H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos NV US Patent					Assay Description In vitro inhibition assay using various enzyme.				US Patent US8563545 (2013) BindingDB Entry DOI: 10.7270/Q2TX3D1X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM103732 (US10206907, Compound 130 | US11000528, Cpd # 6 | U...) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1 Show InChI InChI=1S/C22H26N6O/c1-26-11-13-27(14-12-26)15-16-5-7-17(8-6-16)19-3-2-4-20-23-22(25-28(19)20)24-21(29)18-9-10-18/h2-8,18H,9-15H2,1H3,(H,24,25,29)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.07E+3	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 US11000528 (2021)
					More data for this Ligand-Target Pair
JAK1 (aa 850-1154) (Homo sapiens (Human))	BDBM103732 (US10206907, Compound 130 | US11000528, Cpd # 6 | U...) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1 Show InChI InChI=1S/C22H26N6O/c1-26-11-13-27(14-12-26)15-16-5-7-17(8-6-16)19-3-2-4-20-23-22(25-28(19)20)24-21(29)18-9-10-18/h2-8,18H,9-15H2,1H3,(H,24,25,29)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+3	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
Tyrosine-protein kinase JAK1 (850-1154) ()	BDBM103732 (US10206907, Compound 130 | US11000528, Cpd # 6 | U...) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1 Show InChI InChI=1S/C22H26N6O/c1-26-11-13-27(14-12-26)15-16-5-7-17(8-6-16)19-3-2-4-20-23-22(25-28(19)20)24-21(29)18-9-10-18/h2-8,18H,9-15H2,1H3,(H,24,25,29)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.45E+3	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 US11000528 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM103732 (US10206907, Compound 130 | US11000528, Cpd # 6 | U...) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1 Show InChI InChI=1S/C22H26N6O/c1-26-11-13-27(14-12-26)15-16-5-7-17(8-6-16)19-3-2-4-20-23-22(25-28(19)20)24-21(29)18-9-10-18/h2-8,18H,9-15H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+3	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