BDBM50532763 CHEMBL4593634

SMILES: O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(NC5CCOCC5)nn34)cc2s1

InChI Key: InChIKey=FPKOXMIYFSHEFU-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 = 50532763   

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))	BDBM50532763 (CHEMBL4593634) Show SMILES O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(NC5CCOCC5)nn34)cc2s1 Show InChI InChI=1S/C24H29N9O3S2/c34-22(25-7-8-32-9-13-36-14-10-32)28-23-27-18-2-1-17(15-19(18)38-23)37-24-30-29-21-4-3-20(31-33(21)24)26-16-5-11-35-12-6-16/h1-4,15-16H,5-14H2,(H,26,31)(H2,25,27,28,34)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	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))	BDBM50532763 (CHEMBL4593634) Show SMILES O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(NC5CCOCC5)nn34)cc2s1 Show InChI InChI=1S/C24H29N9O3S2/c34-22(25-7-8-32-9-13-36-14-10-32)28-23-27-18-2-1-17(15-19(18)38-23)37-24-30-29-21-4-3-20(31-33(21)24)26-16-5-11-35-12-6-16/h1-4,15-16H,5-14H2,(H,26,31)(H2,25,27,28,34)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	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))	BDBM50532763 (CHEMBL4593634) Show SMILES O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(NC5CCOCC5)nn34)cc2s1 Show InChI InChI=1S/C24H29N9O3S2/c34-22(25-7-8-32-9-13-36-14-10-32)28-23-27-18-2-1-17(15-19(18)38-23)37-24-30-29-21-4-3-20(31-33(21)24)26-16-5-11-35-12-6-16/h1-4,15-16H,5-14H2,(H,26,31)(H2,25,27,28,34)	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	>4.00E+4	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))	BDBM50532763 (CHEMBL4593634) Show SMILES O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(NC5CCOCC5)nn34)cc2s1 Show InChI InChI=1S/C24H29N9O3S2/c34-22(25-7-8-32-9-13-36-14-10-32)28-23-27-18-2-1-17(15-19(18)38-23)37-24-30-29-21-4-3-20(31-33(21)24)26-16-5-11-35-12-6-16/h1-4,15-16H,5-14H2,(H,26,31)(H2,25,27,28,34)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	217	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50532763 (CHEMBL4593634) Show SMILES O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(NC5CCOCC5)nn34)cc2s1 Show InChI InChI=1S/C24H29N9O3S2/c34-22(25-7-8-32-9-13-36-14-10-32)28-23-27-18-2-1-17(15-19(18)38-23)37-24-30-29-21-4-3-20(31-33(21)24)26-16-5-11-35-12-6-16/h1-4,15-16H,5-14H2,(H,26,31)(H2,25,27,28,34)	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	>4.00E+4	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))	BDBM50532763 (CHEMBL4593634) Show SMILES O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(NC5CCOCC5)nn34)cc2s1 Show InChI InChI=1S/C24H29N9O3S2/c34-22(25-7-8-32-9-13-36-14-10-32)28-23-27-18-2-1-17(15-19(18)38-23)37-24-30-29-21-4-3-20(31-33(21)24)26-16-5-11-35-12-6-16/h1-4,15-16H,5-14H2,(H,26,31)(H2,25,27,28,34)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	217	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