BDBM116312 US8637526, 226

SMILES: Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cc(Cl)ccc1C

InChI Key: InChIKey=OHASWADNHFSPSO-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 116312   

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 JAK2 (Homo sapiens (Human))	BDBM116312 (US8637526, 226) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cc(Cl)ccc1C Show InChI InChI=1S/C18H16ClN7O/c1-10-3-4-12(19)8-14(10)26-16(7-11(2)24-26)23-18(27)13-9-21-25-6-5-15(20)22-17(13)25/h3-9H,1-2H3,(H2,20,22)(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-12.6	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM116312 (US8637526, 226) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cc(Cl)ccc1C Show InChI InChI=1S/C18H16ClN7O/c1-10-3-4-12(19)8-14(10)26-16(7-11(2)24-26)23-18(27)13-9-21-25-6-5-15(20)22-17(13)25/h3-9H,1-2H3,(H2,20,22)(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.40	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM116312 (US8637526, 226) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cc(Cl)ccc1C Show InChI InChI=1S/C18H16ClN7O/c1-10-3-4-12(19)8-14(10)26-16(7-11(2)24-26)23-18(27)13-9-21-25-6-5-15(20)22-17(13)25/h3-9H,1-2H3,(H2,20,22)(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.7	-10.5	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM116312 (US8637526, 226) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cc(Cl)ccc1C Show InChI InChI=1S/C18H16ClN7O/c1-10-3-4-12(19)8-14(10)26-16(7-11(2)24-26)23-18(27)13-9-21-25-6-5-15(20)22-17(13)25/h3-9H,1-2H3,(H2,20,22)(H,23,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	32.8	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair