BDBM228883 US9328099, 2-14

SMILES: CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCCCC2)cc1

InChI Key: InChIKey=SNAWVGQQQYTEPG-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 = 228883   

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))	BDBM228883 (US9328099, 2-14) Show SMILES CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCCCC2)cc1 Show InChI InChI=1S/C19H23N5O3S/c1-28(26,27)15-7-5-14(6-8-15)22-18-16(17(21)25)13-24(23-18)19(11-12-20)9-3-2-4-10-19/h5-8,13H,2-4,9-11H2,1H3,(H2,21,25)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp US Patent					Assay Description The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...				US Patent US9328099 (2016) BindingDB Entry DOI: 10.7270/Q2M61J42
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM228883 (US9328099, 2-14) Show SMILES CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCCCC2)cc1 Show InChI InChI=1S/C19H23N5O3S/c1-28(26,27)15-7-5-14(6-8-15)22-18-16(17(21)25)13-24(23-18)19(11-12-20)9-3-2-4-10-19/h5-8,13H,2-4,9-11H2,1H3,(H2,21,25)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	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 reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...				US Patent US9328099 (2016) BindingDB Entry DOI: 10.7270/Q2M61J42
					More data for this Ligand-Target Pair