BDBM50372714 CHEMBL255989

SMILES: COc1nc(NCCCN2CCN(C)CC2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F

InChI Key: InChIKey=IZGPDIJRXUJVSZ-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 = 50372714   

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 Lck (Homo sapiens (Human))	BDBM50372714 (CHEMBL255989) Show SMILES COc1nc(NCCCN2CCN(C)CC2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C30H36F3N7O3/c1-19-9-10-21(26(41)36-24-8-5-7-23(20(24)2)30(31,32)33)17-25(19)37-27(42)22-18-35-29(38-28(22)43-4)34-11-6-12-40-15-13-39(3)14-16-40/h5,7-10,17-18H,6,11-16H2,1-4H3,(H,36,41)(H,37,42)(H,34,35,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				Bioorg Med Chem Lett 18: 1172-6 (2008) Article DOI: 10.1016/j.bmcl.2007.11.123 BindingDB Entry DOI: 10.7270/Q2WD41FK
					More data for this Ligand-Target Pair
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM50372714 (CHEMBL255989) Show SMILES COc1nc(NCCCN2CCN(C)CC2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C30H36F3N7O3/c1-19-9-10-21(26(41)36-24-8-5-7-23(20(24)2)30(31,32)33)17-25(19)37-27(42)22-18-35-29(38-28(22)43-4)34-11-6-12-40-15-13-39(3)14-16-40/h5,7-10,17-18H,6,11-16H2,1-4H3,(H,36,41)(H,37,42)(H,34,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Tie2				Bioorg Med Chem Lett 18: 1172-6 (2008) Article DOI: 10.1016/j.bmcl.2007.11.123 BindingDB Entry DOI: 10.7270/Q2WD41FK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50372714 (CHEMBL255989) Show SMILES COc1nc(NCCCN2CCN(C)CC2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C30H36F3N7O3/c1-19-9-10-21(26(41)36-24-8-5-7-23(20(24)2)30(31,32)33)17-25(19)37-27(42)22-18-35-29(38-28(22)43-4)34-11-6-12-40-15-13-39(3)14-16-40/h5,7-10,17-18H,6,11-16H2,1-4H3,(H,36,41)(H,37,42)(H,34,35,38)	PDB 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	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Jak3				Bioorg Med Chem Lett 18: 1172-6 (2008) Article DOI: 10.1016/j.bmcl.2007.11.123 BindingDB Entry DOI: 10.7270/Q2WD41FK
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50372714 (CHEMBL255989) Show SMILES COc1nc(NCCCN2CCN(C)CC2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C30H36F3N7O3/c1-19-9-10-21(26(41)36-24-8-5-7-23(20(24)2)30(31,32)33)17-25(19)37-27(42)22-18-35-29(38-28(22)43-4)34-11-6-12-40-15-13-39(3)14-16-40/h5,7-10,17-18H,6,11-16H2,1-4H3,(H,36,41)(H,37,42)(H,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 18: 1172-6 (2008) Article DOI: 10.1016/j.bmcl.2007.11.123 BindingDB Entry DOI: 10.7270/Q2WD41FK
					More data for this Ligand-Target Pair