BDBM50532744 CHEMBL4472716

SMILES: CCCCOc1ccc2nnc(Sc3ccc4nc(NC(=O)NCCN5CCOCC5)sc4c3)n2n1

InChI Key: InChIKey=AEWJOWIIKLRRCS-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50532744   

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
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50532744 (CHEMBL4472716) Show SMILES CCCCOc1ccc2nnc(Sc3ccc4nc(NC(=O)NCCN5CCOCC5)sc4c3)n2n1 Show InChI InChI=1S/C23H28N8O3S2/c1-2-3-12-34-20-7-6-19-27-28-23(31(19)29-20)35-16-4-5-17-18(15-16)36-22(25-17)26-21(32)24-8-9-30-10-13-33-14-11-30/h4-7,15H,2-3,8-14H2,1H3,(H2,24,25,26,32)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Germany GmbH Curated by ChEMBL					Assay Description Inhibition of wild type phosphorylated MET (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptide ad...				J Med Chem 59: 7066-74 (2016) Article DOI: 10.1021/acs.jmedchem.6b00280
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50532744 (CHEMBL4472716) Show SMILES CCCCOc1ccc2nnc(Sc3ccc4nc(NC(=O)NCCN5CCOCC5)sc4c3)n2n1 Show InChI InChI=1S/C23H28N8O3S2/c1-2-3-12-34-20-7-6-19-27-28-23(31(19)29-20)35-16-4-5-17-18(15-16)36-22(25-17)26-21(32)24-8-9-30-10-13-33-14-11-30/h4-7,15H,2-3,8-14H2,1H3,(H2,24,25,26,32)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Germany GmbH Curated by ChEMBL					Assay Description Inhibition of wild type phosphorylated MET (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptide ad...				J Med Chem 59: 7066-74 (2016) Article DOI: 10.1021/acs.jmedchem.6b00280
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50532744 (CHEMBL4472716) Show SMILES CCCCOc1ccc2nnc(Sc3ccc4nc(NC(=O)NCCN5CCOCC5)sc4c3)n2n1 Show InChI InChI=1S/C23H28N8O3S2/c1-2-3-12-34-20-7-6-19-27-28-23(31(19)29-20)35-16-4-5-17-18(15-16)36-22(25-17)26-21(32)24-8-9-30-10-13-33-14-11-30/h4-7,15H,2-3,8-14H2,1H3,(H2,24,25,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Germany GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase and human b5 reductase assessed as reduction in 7-Hydroxyquinoline prod...				J Med Chem 59: 7066-74 (2016) Article DOI: 10.1021/acs.jmedchem.6b00280
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50532744 (CHEMBL4472716) Show SMILES CCCCOc1ccc2nnc(Sc3ccc4nc(NC(=O)NCCN5CCOCC5)sc4c3)n2n1 Show InChI InChI=1S/C23H28N8O3S2/c1-2-3-12-34-20-7-6-19-27-28-23(31(19)29-20)35-16-4-5-17-18(15-16)36-22(25-17)26-21(32)24-8-9-30-10-13-33-14-11-30/h4-7,15H,2-3,8-14H2,1H3,(H2,24,25,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Germany GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase and human b5 reductase assessed as reduction in 7-Hydroxyquinoline prod...				J Med Chem 59: 7066-74 (2016) Article DOI: 10.1021/acs.jmedchem.6b00280
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50532744 (CHEMBL4472716) Show SMILES CCCCOc1ccc2nnc(Sc3ccc4nc(NC(=O)NCCN5CCOCC5)sc4c3)n2n1 Show InChI InChI=1S/C23H28N8O3S2/c1-2-3-12-34-20-7-6-19-27-28-23(31(19)29-20)35-16-4-5-17-18(15-16)36-22(25-17)26-21(32)24-8-9-30-10-13-33-14-11-30/h4-7,15H,2-3,8-14H2,1H3,(H2,24,25,26,32)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Germany GmbH Curated by ChEMBL					Assay Description Inhibition of phosphorylated MET Y1230H mutant (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptid...				J Med Chem 59: 7066-74 (2016) Article DOI: 10.1021/acs.jmedchem.6b00280
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50532744 (CHEMBL4472716) Show SMILES CCCCOc1ccc2nnc(Sc3ccc4nc(NC(=O)NCCN5CCOCC5)sc4c3)n2n1 Show InChI InChI=1S/C23H28N8O3S2/c1-2-3-12-34-20-7-6-19-27-28-23(31(19)29-20)35-16-4-5-17-18(15-16)36-22(25-17)26-21(32)24-8-9-30-10-13-33-14-11-30/h4-7,15H,2-3,8-14H2,1H3,(H2,24,25,26,32)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Germany GmbH Curated by ChEMBL					Assay Description Inhibition of phosphorylated MET Y1230H mutant (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptid...				J Med Chem 59: 7066-74 (2016) Article DOI: 10.1021/acs.jmedchem.6b00280
					More data for this Ligand-Target Pair