BDBM50097394 CHEMBL3586446

SMILES: NC(=O)c1nnc2c(cccc2c1N)-c1ccc2cn[nH]c2c1

InChI Key: InChIKey=OPQNPPRJLLADTG-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50097394   

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))	BDBM50097394 (CHEMBL3586446) Show SMILES NC(=O)c1nnc2c(cccc2c1N)-c1ccc2cn[nH]c2c1 Show InChI InChI=1S/C16H12N6O/c17-13-11-3-1-2-10(14(11)21-22-15(13)16(18)23)8-4-5-9-7-19-20-12(9)6-8/h1-7H,(H2,17,21)(H2,18,23)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in human Raji cells after 30 mins by HTRF assay				J Med Chem 58: 5437-44 (2015) Article DOI: 10.1021/acs.jmedchem.5b00734 BindingDB Entry DOI: 10.7270/Q25B047D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50097394 (CHEMBL3586446) Show SMILES NC(=O)c1nnc2c(cccc2c1N)-c1ccc2cn[nH]c2c1 Show InChI InChI=1S/C16H12N6O/c17-13-11-3-1-2-10(14(11)21-22-15(13)16(18)23)8-4-5-9-7-19-20-12(9)6-8/h1-7H,(H2,17,21)(H2,18,23)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	92	n/a	n/a	n/a	n/a
Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Inhibition of BTK autophosphorylation in human Raji cells after 30 mins by Phos-Y223 Btk HTRF assay				J Med Chem 58: 5437-44 (2015) Article DOI: 10.1021/acs.jmedchem.5b00734 BindingDB Entry DOI: 10.7270/Q25B047D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50097394 (CHEMBL3586446) Show SMILES NC(=O)c1nnc2c(cccc2c1N)-c1ccc2cn[nH]c2c1 Show InChI InChI=1S/C16H12N6O/c17-13-11-3-1-2-10(14(11)21-22-15(13)16(18)23)8-4-5-9-7-19-20-12(9)6-8/h1-7H,(H2,17,21)(H2,18,23)(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Inhibition of Lck (unknown origin)				J Med Chem 58: 5437-44 (2015) Article DOI: 10.1021/acs.jmedchem.5b00734 BindingDB Entry DOI: 10.7270/Q25B047D
					More data for this Ligand-Target Pair