BDBM50529030 CHEMBL4559485

SMILES: C[C@@H](Oc1cc(cnc1N)-c1ccn(CCN(C)C)c(=O)c1)c1c(Cl)ccc(F)c1Cl

InChI Key: InChIKey=NFAGZVGAXFNBPX-CYBMUJFWSA-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 = 50529030   

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))	BDBM50529030 (CHEMBL4559485) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1ccn(CCN(C)C)c(=O)c1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C22H23Cl2FN4O2/c1-13(20-16(23)4-5-17(25)21(20)24)31-18-10-15(12-27-22(18)26)14-6-7-29(19(30)11-14)9-8-28(2)3/h4-7,10-13H,8-9H2,1-3H3,(H2,26,27)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ROS (1883 to 2347 residues) expressed in baculovirus expression system using IRS1 as substrate ...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111734
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50529030 (CHEMBL4559485) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1ccn(CCN(C)C)c(=O)c1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C22H23Cl2FN4O2/c1-13(20-16(23)4-5-17(25)21(20)24)31-18-10-15(12-27-22(18)26)14-6-7-29(19(30)11-14)9-8-28(2)3/h4-7,10-13H,8-9H2,1-3H3,(H2,26,27)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK G1202R mutant (1058 to 1620 residues) expressed in baculovirus expression system using Srct...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111734
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50529030 (CHEMBL4559485) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1ccn(CCN(C)C)c(=O)c1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C22H23Cl2FN4O2/c1-13(20-16(23)4-5-17(25)21(20)24)31-18-10-15(12-27-22(18)26)14-6-7-29(19(30)11-14)9-8-28(2)3/h4-7,10-13H,8-9H2,1-3H3,(H2,26,27)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK L1196M mutant (1058 to 1620 residues) expressed in baculovirus expression system using Srct...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111734
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50529030 (CHEMBL4559485) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1ccn(CCN(C)C)c(=O)c1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C22H23Cl2FN4O2/c1-13(20-16(23)4-5-17(25)21(20)24)31-18-10-15(12-27-22(18)26)14-6-7-29(19(30)11-14)9-8-28(2)3/h4-7,10-13H,8-9H2,1-3H3,(H2,26,27)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) expressed in baculovirus expression system using Srctide as substra...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111734
					More data for this Ligand-Target Pair