BDBM50241731 CHEMBL4064000

SMILES: COc1ccc(cc1N)-c1n[nH]c(NCc2c(F)cccc2Cl)n1

InChI Key: InChIKey=LMAZTHVENPJMML-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50241731   

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241731 (CHEMBL4064000) Show SMILES COc1ccc(cc1N)-c1n[nH]c(NCc2c(F)cccc2Cl)n1 Show InChI InChI=1S/C16H15ClFN5O/c1-24-14-6-5-9(7-13(14)19)15-21-16(23-22-15)20-8-10-11(17)3-2-4-12(10)18/h2-7H,8,19H2,1H3,(H2,20,21,22,23)	PDB MMDB NCI pathway 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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma				J Med Chem 60: 8552-8564 (2017) Article DOI: 10.1021/acs.jmedchem.7b01075 BindingDB Entry DOI: 10.7270/Q25X2C34
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50241731 (CHEMBL4064000) Show SMILES COc1ccc(cc1N)-c1n[nH]c(NCc2c(F)cccc2Cl)n1 Show InChI InChI=1S/C16H15ClFN5O/c1-24-14-6-5-9(7-13(14)19)15-21-16(23-22-15)20-8-10-11(17)3-2-4-12(10)18/h2-7H,8,19H2,1H3,(H2,20,21,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description Inhibition of His-tagged full length recombinant human LCK expressed in baculovirus expression system using TK-substrate-biotin after 40 mins by HTRF...				J Med Chem 60: 8552-8564 (2017) Article DOI: 10.1021/acs.jmedchem.7b01075 BindingDB Entry DOI: 10.7270/Q25X2C34
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50241731 (CHEMBL4064000) Show SMILES COc1ccc(cc1N)-c1n[nH]c(NCc2c(F)cccc2Cl)n1 Show InChI InChI=1S/C16H15ClFN5O/c1-24-14-6-5-9(7-13(14)19)15-21-16(23-22-15)20-8-10-11(17)3-2-4-12(10)18/h2-7H,8,19H2,1H3,(H2,20,21,22,23)	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	334	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences, Beijing Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 60: 8552-8564 (2017) Article DOI: 10.1021/acs.jmedchem.7b01075 BindingDB Entry DOI: 10.7270/Q25X2C34
					More data for this Ligand-Target Pair