BDBM50532319 CHEMBL4565209

SMILES: CC[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1

InChI Key: InChIKey=DGYSAXDYYWORIW-OAQYLSRUSA-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 = 50532319   

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))	BDBM50532319 (CHEMBL4565209) Show SMILES CC[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r| Show InChI InChI=1S/C29H33F3N6O/c1-3-21-17-38(26-14-33-19-34-15-26)18-23-12-22(4-5-27(21)23)28(39)35-25-11-20(10-24(13-25)29(30,31)32)16-37-8-6-36(2)7-9-37/h4-5,10-15,19,21H,3,6-9,16-18H2,1-2H3,(H,35,39)/t21-/m1/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				J Med Chem 59: 5911-6 (2016) Article DOI: 10.1021/acs.jmedchem.6b00140
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50532319 (CHEMBL4565209) Show SMILES CC[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r| Show InChI InChI=1S/C29H33F3N6O/c1-3-21-17-38(26-14-33-19-34-15-26)18-23-12-22(4-5-27(21)23)28(39)35-25-11-20(10-24(13-25)29(30,31)32)16-37-8-6-36(2)7-9-37/h4-5,10-15,19,21H,3,6-9,16-18H2,1-2H3,(H,35,39)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...				J Med Chem 59: 5911-6 (2016) Article DOI: 10.1021/acs.jmedchem.6b00140
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50532319 (CHEMBL4565209) Show SMILES CC[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r| Show InChI InChI=1S/C29H33F3N6O/c1-3-21-17-38(26-14-33-19-34-15-26)18-23-12-22(4-5-27(21)23)28(39)35-25-11-20(10-24(13-25)29(30,31)32)16-37-8-6-36(2)7-9-37/h4-5,10-15,19,21H,3,6-9,16-18H2,1-2H3,(H,35,39)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...				J Med Chem 59: 5911-6 (2016) Article DOI: 10.1021/acs.jmedchem.6b00140
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50532319 (CHEMBL4565209) Show SMILES CC[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r| Show InChI InChI=1S/C29H33F3N6O/c1-3-21-17-38(26-14-33-19-34-15-26)18-23-12-22(4-5-27(21)23)28(39)35-25-11-20(10-24(13-25)29(30,31)32)16-37-8-6-36(2)7-9-37/h4-5,10-15,19,21H,3,6-9,16-18H2,1-2H3,(H,35,39)/t21-/m1/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				J Med Chem 59: 5911-6 (2016) Article DOI: 10.1021/acs.jmedchem.6b00140
					More data for this Ligand-Target Pair