BDBM50530295 CHEMBL4453927

SMILES: Cn1ncc(c1C(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)[N+]([O-])=O

InChI Key: InChIKey=RXTSCMFMLZMDPR-UHFFFAOYSA-N

Data: 4 IC50  2 EC50

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 = 50530295   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530295 (CHEMBL4453927) Show SMILES Cn1ncc(c1C(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)[N+]([O-])=O Show InChI InChI=1S/C14H9Cl2N5O3S/c1-20-12(11(5-17-20)21(23)24)13(22)19-14-18-10(6-25-14)7-2-3-8(15)9(16)4-7/h2-6H,1H3,(H,18,19,22)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of Myr-GQQPGKVLGDQRRPSL(K-TAMRA)G-amide from N-terminal-truncated human c-ABL D382N mutant (46 to 534 residues) after 30 mins by fluores...				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530295 (CHEMBL4453927) Show SMILES Cn1ncc(c1C(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)[N+]([O-])=O Show InChI InChI=1S/C14H9Cl2N5O3S/c1-20-12(11(5-17-20)21(23)24)13(22)19-14-18-10(6-25-14)7-2-3-8(15)9(16)4-7/h2-6H,1H3,(H,18,19,22)	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	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530295 (CHEMBL4453927) Show SMILES Cn1ncc(c1C(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)[N+]([O-])=O Show InChI InChI=1S/C14H9Cl2N5O3S/c1-20-12(11(5-17-20)21(23)24)13(22)19-14-18-10(6-25-14)7-2-3-8(15)9(16)4-7/h2-6H,1H3,(H,18,19,22)	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	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530295 (CHEMBL4453927) Show SMILES Cn1ncc(c1C(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)[N+]([O-])=O Show InChI InChI=1S/C14H9Cl2N5O3S/c1-20-12(11(5-17-20)21(23)24)13(22)19-14-18-10(6-25-14)7-2-3-8(15)9(16)4-7/h2-6H,1H3,(H,18,19,22)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Activation of full length human 6His-tagged c-Abl expressed in baculovirus expression system using abltide as substrate after 2 hrs by IMAP assay				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530295 (CHEMBL4453927) Show SMILES Cn1ncc(c1C(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)[N+]([O-])=O Show InChI InChI=1S/C14H9Cl2N5O3S/c1-20-12(11(5-17-20)21(23)24)13(22)19-14-18-10(6-25-14)7-2-3-8(15)9(16)4-7/h2-6H,1H3,(H,18,19,22)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Activation of full length human 6His-tagged c-Abl expressed in baculovirus expression system using abltide as substrate after 2 hrs by IMAP assay				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530295 (CHEMBL4453927) Show SMILES Cn1ncc(c1C(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)[N+]([O-])=O Show InChI InChI=1S/C14H9Cl2N5O3S/c1-20-12(11(5-17-20)21(23)24)13(22)19-14-18-10(6-25-14)7-2-3-8(15)9(16)4-7/h2-6H,1H3,(H,18,19,22)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of Myr-GQQPGKVLGDQRRPSL(K-TAMRA)G-amide from N-terminal-truncated human c-ABL D382N mutant (46 to 534 residues) after 30 mins by fluores...				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872
					More data for this Ligand-Target Pair