BDBM50184775 CHEMBL3823451

SMILES: COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCN(C)CC2)c2ncnc(N)c12

InChI Key: InChIKey=OHWUPSZMHRLUMQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50184775   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50184775 (CHEMBL3823451) Show SMILES COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCN(C)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C24H34N8O3/c1-24(2,3)35-23(33)28-17-7-6-16(14-18(17)34-5)20-19-21(25)26-15-27-22(19)32(29-20)13-12-31-10-8-30(4)9-11-31/h6-7,14-15H,8-13H2,1-5H3,(H,28,33)(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Edinburgh Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length human SRC expressed in insect cells preincubated for 20 mins using poly[Glu,Tyr]4:1 as substrate meas...				J Med Chem 59: 4697-710 (2016) BindingDB Entry DOI: 10.7270/Q2B85B2D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50184775 (CHEMBL3823451) Show SMILES COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCN(C)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C24H34N8O3/c1-24(2,3)35-23(33)28-17-7-6-16(14-18(17)34-5)20-19-21(25)26-15-27-22(19)32(29-20)13-12-31-10-8-30(4)9-11-31/h6-7,14-15H,8-13H2,1-5H3,(H,28,33)(H2,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Edinburgh Curated by ChEMBL					Assay Description Inhibition of human ABL using EAIYAAPFAKKK as substrate in presence of [gamma-33P]ATP				J Med Chem 59: 4697-710 (2016) BindingDB Entry DOI: 10.7270/Q2B85B2D
					More data for this Ligand-Target Pair