BDBM257450 US9493441, 4-34

SMILES: CC(C)(C)OC(=O)CN1Cc2cc(Nc3nn(cc3C(N)=O)C(CC#N)C3CC3)ccc2C1=O

InChI Key: InChIKey=NLUBLHMXYRTHOG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 257450   

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
GST-JAK2 (Homo sapiens (Human))	BDBM257450 (US9493441, 4-34) Show SMILES CC(C)(C)OC(=O)CN1Cc2cc(Nc3nn(cc3C(N)=O)C(CC#N)C3CC3)ccc2C1=O Show InChI InChI=1S/C24H28N6O4/c1-24(2,3)34-20(31)13-29-11-15-10-16(6-7-17(15)23(29)33)27-22-18(21(26)32)12-30(28-22)19(8-9-25)14-4-5-14/h6-7,10,12,14,19H,4-5,8,11,13H2,1-3H3,(H2,26,32)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair
GST-JAK1 (Homo sapiens (Human))	BDBM257450 (US9493441, 4-34) Show SMILES CC(C)(C)OC(=O)CN1Cc2cc(Nc3nn(cc3C(N)=O)C(CC#N)C3CC3)ccc2C1=O Show InChI InChI=1S/C24H28N6O4/c1-24(2,3)34-20(31)13-29-11-15-10-16(6-7-17(15)23(29)33)27-22-18(21(26)32)12-30(28-22)19(8-9-25)14-4-5-14/h6-7,10,12,14,19H,4-5,8,11,13H2,1-3H3,(H2,26,32)(H,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair