BDBM50427750 CHEMBL2324923

SMILES: CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=QAZSOKNYSVTMPH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50427750   

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50427750 (CHEMBL2324923) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)	PDB MMDB NCI pathway 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	35	n/a	n/a	n/a	n/a	n/a	n/a
Cyclofluidic Ltd Curated by ChEMBL					Assay Description Inhibition of P38alpha (unknown origin)				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))	BDBM50427750 (CHEMBL2324923) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Cyclofluidic Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Abl1 kinase (unknown origin)				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))	BDBM50427750 (CHEMBL2324923) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)	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	2	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 ABL1 (Homo sapiens (Human))	BDBM50427750 (CHEMBL2324923) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)	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	12	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))	BDBM50427750 (CHEMBL2324923) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)	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	11	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 ABL2 (Homo sapiens (Human))	BDBM50427750 (CHEMBL2324923) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)	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	15	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