BDBM50427743 CHEMBL2324929

SMILES: CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4ccc(N)nc4)n(C)n3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=SWWHQLAUNHTMIH-UHFFFAOYSA-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 = 50427743   

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 ABL2 (Homo sapiens (Human))	BDBM50427743 (CHEMBL2324929) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4ccc(N)nc4)n(C)n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C25H27F3N8O/c1-34-9-11-36(12-10-34)16-18-5-6-19(13-21(18)25(26,27)28)31-24(37)32-23-14-20(35(2)33-23)7-3-17-4-8-22(29)30-15-17/h4-6,8,13-15H,9-12,16H2,1-2H3,(H2,29,30)(H2,31,32,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Cyclofluidic Ltd Curated by ChEMBL					Assay Description Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...				J Med Chem 56: 3033-47 (2013) Article DOI: 10.1021/jm400099d BindingDB Entry DOI: 10.7270/Q24T6KPD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50427743 (CHEMBL2324929) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4ccc(N)nc4)n(C)n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C25H27F3N8O/c1-34-9-11-36(12-10-34)16-18-5-6-19(13-21(18)25(26,27)28)31-24(37)32-23-14-20(35(2)33-23)7-3-17-4-8-22(29)30-15-17/h4-6,8,13-15H,9-12,16H2,1-2H3,(H2,29,30)(H2,31,32,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Cyclofluidic Ltd Curated by ChEMBL					Assay Description Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...				J Med Chem 56: 3033-47 (2013) Article DOI: 10.1021/jm400099d BindingDB Entry DOI: 10.7270/Q24T6KPD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL2 (Homo sapiens (Human))	BDBM50427743 (CHEMBL2324929) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4ccc(N)nc4)n(C)n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C25H27F3N8O/c1-34-9-11-36(12-10-34)16-18-5-6-19(13-21(18)25(26,27)28)31-24(37)32-23-14-20(35(2)33-23)7-3-17-4-8-22(29)30-15-17/h4-6,8,13-15H,9-12,16H2,1-2H3,(H2,29,30)(H2,31,32,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Cyclofluidic Ltd Curated by ChEMBL					Assay Description Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...				J Med Chem 56: 3033-47 (2013) Article DOI: 10.1021/jm400099d BindingDB Entry DOI: 10.7270/Q24T6KPD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50427743 (CHEMBL2324929) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4ccc(N)nc4)n(C)n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C25H27F3N8O/c1-34-9-11-36(12-10-34)16-18-5-6-19(13-21(18)25(26,27)28)31-24(37)32-23-14-20(35(2)33-23)7-3-17-4-8-22(29)30-15-17/h4-6,8,13-15H,9-12,16H2,1-2H3,(H2,29,30)(H2,31,32,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Cyclofluidic Ltd Curated by ChEMBL					Assay Description Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...				J Med Chem 56: 3033-47 (2013) Article DOI: 10.1021/jm400099d BindingDB Entry DOI: 10.7270/Q24T6KPD
					More data for this Ligand-Target Pair