BDBM50530284 CHEMBL4590544

SMILES: Clc1ccc(cc1Cl)-n1ccc(NC(=O)CC#N)n1

InChI Key: InChIKey=ZZHVSXAXUYZGQM-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 = 50530284   

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))	BDBM50530284 (CHEMBL4590544) Show SMILES Clc1ccc(cc1Cl)-n1ccc(NC(=O)CC#N)n1 Show InChI InChI=1S/C12H8Cl2N4O/c13-9-2-1-8(7-10(9)14)18-6-4-11(17-18)16-12(19)3-5-15/h1-2,4,6-7H,3H2,(H,16,17,19)	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	2.51E+3	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))	BDBM50530284 (CHEMBL4590544) Show SMILES Clc1ccc(cc1Cl)-n1ccc(NC(=O)CC#N)n1 Show InChI InChI=1S/C12H8Cl2N4O/c13-9-2-1-8(7-10(9)14)18-6-4-11(17-18)16-12(19)3-5-15/h1-2,4,6-7H,3H2,(H,16,17,19)	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	1.59E+3	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))	BDBM50530284 (CHEMBL4590544) Show SMILES Clc1ccc(cc1Cl)-n1ccc(NC(=O)CC#N)n1 Show InChI InChI=1S/C12H8Cl2N4O/c13-9-2-1-8(7-10(9)14)18-6-4-11(17-18)16-12(19)3-5-15/h1-2,4,6-7H,3H2,(H,16,17,19)	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	2.51E+3	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))	BDBM50530284 (CHEMBL4590544) Show SMILES Clc1ccc(cc1Cl)-n1ccc(NC(=O)CC#N)n1 Show InChI InChI=1S/C12H8Cl2N4O/c13-9-2-1-8(7-10(9)14)18-6-4-11(17-18)16-12(19)3-5-15/h1-2,4,6-7H,3H2,(H,16,17,19)	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	1.59E+3	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))	BDBM50530284 (CHEMBL4590544) Show SMILES Clc1ccc(cc1Cl)-n1ccc(NC(=O)CC#N)n1 Show InChI InChI=1S/C12H8Cl2N4O/c13-9-2-1-8(7-10(9)14)18-6-4-11(17-18)16-12(19)3-5-15/h1-2,4,6-7H,3H2,(H,16,17,19)	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	7.94E+3	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))	BDBM50530284 (CHEMBL4590544) Show SMILES Clc1ccc(cc1Cl)-n1ccc(NC(=O)CC#N)n1 Show InChI InChI=1S/C12H8Cl2N4O/c13-9-2-1-8(7-10(9)14)18-6-4-11(17-18)16-12(19)3-5-15/h1-2,4,6-7H,3H2,(H,16,17,19)	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	7.94E+3	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