BDBM264390 US9714247, 111

SMILES: CCn1c2cc(Nc3ccc(CN4CCN(CC4)S(C)(=O)=O)cn3)ncc2cc(-c2ccccc2)c1=O

InChI Key: InChIKey=SXGDBAOUXLAIEK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 264390   

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 BTK (Homo sapiens (Human))	BDBM264390 (US9714247, 111) Show SMILES CCn1c2cc(Nc3ccc(CN4CCN(CC4)S(C)(=O)=O)cn3)ncc2cc(-c2ccccc2)c1=O Show InChI InChI=1S/C27H30N6O3S/c1-3-33-24-16-26(29-18-22(24)15-23(27(33)34)21-7-5-4-6-8-21)30-25-10-9-20(17-28-25)19-31-11-13-32(14-12-31)37(2,35)36/h4-10,15-18H,3,11-14,19H2,1-2H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264390 (US9714247, 111) Show SMILES CCn1c2cc(Nc3ccc(CN4CCN(CC4)S(C)(=O)=O)cn3)ncc2cc(-c2ccccc2)c1=O Show InChI InChI=1S/C27H30N6O3S/c1-3-33-24-16-26(29-18-22(24)15-23(27(33)34)21-7-5-4-6-8-21)30-25-10-9-20(17-28-25)19-31-11-13-32(14-12-31)37(2,35)36/h4-10,15-18H,3,11-14,19H2,1-2H3,(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264390 (US9714247, 111) Show SMILES CCn1c2cc(Nc3ccc(CN4CCN(CC4)S(C)(=O)=O)cn3)ncc2cc(-c2ccccc2)c1=O Show InChI InChI=1S/C27H30N6O3S/c1-3-33-24-16-26(29-18-22(24)15-23(27(33)34)21-7-5-4-6-8-21)30-25-10-9-20(17-28-25)19-31-11-13-32(14-12-31)37(2,35)36/h4-10,15-18H,3,11-14,19H2,1-2H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair