BDBM50427746 CHEMBL2321908

SMILES: Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)c(c2)C(F)(F)F)cc1C#Cc1ncc(Nc2ccccc2)cn1

InChI Key: InChIKey=ZJKZZFVTJGIADM-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 = 50427746   

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))	BDBM50427746 (CHEMBL2321908) Show SMILES Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)c(c2)C(F)(F)F)cc1C#Cc1ncc(Nc2ccccc2)cn1 Show InChI InChI=1S/C31H23F3N6O/c1-21-7-11-26(15-22(21)10-12-29-36-17-27(18-37-29)38-25-5-3-2-4-6-25)39-30(41)23-8-9-24(19-40-14-13-35-20-40)28(16-23)31(32,33)34/h2-9,11,13-18,20,38H,19H2,1H3,(H,39,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	298	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))	BDBM50427746 (CHEMBL2321908) Show SMILES Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)c(c2)C(F)(F)F)cc1C#Cc1ncc(Nc2ccccc2)cn1 Show InChI InChI=1S/C31H23F3N6O/c1-21-7-11-26(15-22(21)10-12-29-36-17-27(18-37-29)38-25-5-3-2-4-6-25)39-30(41)23-8-9-24(19-40-14-13-35-20-40)28(16-23)31(32,33)34/h2-9,11,13-18,20,38H,19H2,1H3,(H,39,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	234	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))	BDBM50427746 (CHEMBL2321908) Show SMILES Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)c(c2)C(F)(F)F)cc1C#Cc1ncc(Nc2ccccc2)cn1 Show InChI InChI=1S/C31H23F3N6O/c1-21-7-11-26(15-22(21)10-12-29-36-17-27(18-37-29)38-25-5-3-2-4-6-25)39-30(41)23-8-9-24(19-40-14-13-35-20-40)28(16-23)31(32,33)34/h2-9,11,13-18,20,38H,19H2,1H3,(H,39,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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))	BDBM50427746 (CHEMBL2321908) Show SMILES Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)c(c2)C(F)(F)F)cc1C#Cc1ncc(Nc2ccccc2)cn1 Show InChI InChI=1S/C31H23F3N6O/c1-21-7-11-26(15-22(21)10-12-29-36-17-27(18-37-29)38-25-5-3-2-4-6-25)39-30(41)23-8-9-24(19-40-14-13-35-20-40)28(16-23)31(32,33)34/h2-9,11,13-18,20,38H,19H2,1H3,(H,39,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	307	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