BDBM50204620 CHEMBL3950479

SMILES: COc1ccc(cc1)C(\C)=N\Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

InChI Key: InChIKey=PEKQRSRFUKHNAB-JFLMPSFJSA-N

Data: 4 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 4 hits for monomerid = 50204620   

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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50204620 (CHEMBL3950479) Show SMILES COc1ccc(cc1)C(\C)=N\Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C22H24ClN5O3S/c1-14(2)32(29,30)20-8-6-5-7-19(20)25-21-18(23)13-24-22(26-21)28-27-15(3)16-9-11-17(31-4)12-10-16/h5-14H,1-4H3,(H2,24,25,26,28)/b27-15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of ALK (unknown origin) using peptide as substrate after 60 mins by HTRF assay				Eur J Med Chem 123: 80-89 (2016) Article DOI: 10.1016/j.ejmech.2016.06.056 BindingDB Entry DOI: 10.7270/Q2MK6FVX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204620 (CHEMBL3950479) Show SMILES COc1ccc(cc1)C(\C)=N\Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C22H24ClN5O3S/c1-14(2)32(29,30)20-8-6-5-7-19(20)25-21-18(23)13-24-22(26-21)28-27-15(3)16-9-11-17(31-4)12-10-16/h5-14H,1-4H3,(H2,24,25,26,28)/b27-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assay				Eur J Med Chem 123: 80-89 (2016) Article DOI: 10.1016/j.ejmech.2016.06.056 BindingDB Entry DOI: 10.7270/Q2MK6FVX
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50204620 (CHEMBL3950479) Show SMILES COc1ccc(cc1)C(\C)=N\Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C22H24ClN5O3S/c1-14(2)32(29,30)20-8-6-5-7-19(20)25-21-18(23)13-24-22(26-21)28-27-15(3)16-9-11-17(31-4)12-10-16/h5-14H,1-4H3,(H2,24,25,26,28)/b27-15+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of ROS1 (unknown origin) using peptide as substrate after 60 mins by HTRF assay				Eur J Med Chem 123: 80-89 (2016) Article DOI: 10.1016/j.ejmech.2016.06.056 BindingDB Entry DOI: 10.7270/Q2MK6FVX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50204620 (CHEMBL3950479) Show SMILES COc1ccc(cc1)C(\C)=N\Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C22H24ClN5O3S/c1-14(2)32(29,30)20-8-6-5-7-19(20)25-21-18(23)13-24-22(26-21)28-27-15(3)16-9-11-17(31-4)12-10-16/h5-14H,1-4H3,(H2,24,25,26,28)/b27-15+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using peptide as substrate after 60 mins by HTRF assay				Eur J Med Chem 123: 80-89 (2016) Article DOI: 10.1016/j.ejmech.2016.06.056 BindingDB Entry DOI: 10.7270/Q2MK6FVX
					More data for this Ligand-Target Pair