BDBM50241729 CHEMBL4079354

SMILES: Oc1cccc(c1)-c1n[nH]c(NCc2c(F)cccc2Cl)n1

InChI Key: InChIKey=AAAVVDAKZZKRGS-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 = 50241729   

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))	BDBM50241729 (CHEMBL4079354) Show SMILES Oc1cccc(c1)-c1n[nH]c(NCc2c(F)cccc2Cl)n1 Show InChI InChI=1S/C15H12ClFN4O/c16-12-5-2-6-13(17)11(12)8-18-15-19-14(20-21-15)9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H2,18,19,20,21)	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	9.22E+3	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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50241729 (CHEMBL4079354) Show SMILES Oc1cccc(c1)-c1n[nH]c(NCc2c(F)cccc2Cl)n1 Show InChI InChI=1S/C15H12ClFN4O/c16-12-5-2-6-13(17)11(12)8-18-15-19-14(20-21-15)9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H2,18,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	337	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 BTK (Homo sapiens (Human))	BDBM50241729 (CHEMBL4079354) Show SMILES Oc1cccc(c1)-c1n[nH]c(NCc2c(F)cccc2Cl)n1 Show InChI InChI=1S/C15H12ClFN4O/c16-12-5-2-6-13(17)11(12)8-18-15-19-14(20-21-15)9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H2,18,19,20,21)	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	1.21E+3	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