BDBM50204639 CHEMBL3894726

SMILES: COc1ccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1

InChI Key: InChIKey=DIWRJVJHXXZINL-WYMPLXKRSA-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 = 50204639   

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
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50204639 (CHEMBL3894726) Show SMILES COc1ccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1 Show InChI InChI=1S/C21H22ClN5O3S/c1-14(2)31(28,29)19-7-5-4-6-18(19)25-20-17(22)13-23-21(26-20)27-24-12-15-8-10-16(30-3)11-9-15/h4-14H,1-3H3,(H2,23,25,26,27)/b24-12+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204639 (CHEMBL3894726) Show SMILES COc1ccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1 Show InChI InChI=1S/C21H22ClN5O3S/c1-14(2)31(28,29)19-7-5-4-6-18(19)25-20-17(22)13-23-21(26-20)27-24-12-15-8-10-16(30-3)11-9-15/h4-14H,1-3H3,(H2,23,25,26,27)/b24-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	587	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
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50204639 (CHEMBL3894726) Show SMILES COc1ccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1 Show InChI InChI=1S/C21H22ClN5O3S/c1-14(2)31(28,29)19-7-5-4-6-18(19)25-20-17(22)13-23-21(26-20)27-24-12-15-8-10-16(30-3)11-9-15/h4-14H,1-3H3,(H2,23,25,26,27)/b24-12+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	157	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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50204639 (CHEMBL3894726) Show SMILES COc1ccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1 Show InChI InChI=1S/C21H22ClN5O3S/c1-14(2)31(28,29)19-7-5-4-6-18(19)25-20-17(22)13-23-21(26-20)27-24-12-15-8-10-16(30-3)11-9-15/h4-14H,1-3H3,(H2,23,25,26,27)/b24-12+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	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