BDBM50199881 CHEMBL3962478

SMILES: COc1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1

InChI Key: InChIKey=HEVQGERSWVXART-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 = 50199881   

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 BTK (Homo sapiens (Human))	BDBM50199881 (CHEMBL3962478) Show SMILES COc1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C21H18N6O2/c1-3-19(28)24-15-5-4-6-16(11-15)27-13-23-18-12-22-21(26-20(18)27)25-14-7-9-17(29-2)10-8-14/h3-13H,1H2,2H3,(H,24,28)(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo...				ACS Med Chem Lett 7: 1050-1055 (2016) Article DOI: 10.1021/acsmedchemlett.6b00235 BindingDB Entry DOI: 10.7270/Q2CN75VH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50199881 (CHEMBL3962478) Show SMILES COc1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C21H18N6O2/c1-3-19(28)24-15-5-4-6-16(11-15)27-13-23-18-12-22-21(26-20(18)27)25-14-7-9-17(29-2)10-8-14/h3-13H,1H2,2H3,(H,24,28)(H,22,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)				ACS Med Chem Lett 7: 1050-1055 (2016) Article DOI: 10.1021/acsmedchemlett.6b00235 BindingDB Entry DOI: 10.7270/Q2CN75VH
					More data for this Ligand-Target Pair