BDBM50427742 CHEMBL2324930

SMILES: CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1

InChI Key: InChIKey=SQJDLYFEJSIHPR-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 = 50427742   

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))	BDBM50427742 (CHEMBL2324930) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-9-24(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)35-28(39)22-6-7-23(26(17-22)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)	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	8	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))	BDBM50427742 (CHEMBL2324930) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-9-24(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)35-28(39)22-6-7-23(26(17-22)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)	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	45	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))	BDBM50427742 (CHEMBL2324930) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-9-24(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)35-28(39)22-6-7-23(26(17-22)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)	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	39	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))	BDBM50427742 (CHEMBL2324930) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-9-24(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)35-28(39)22-6-7-23(26(17-22)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)	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	15	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