BDBM448437 US10695347, Compound I-3

SMILES: COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccsc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N(C)C

InChI Key: InChIKey=RGAJGLYVWOWAQL-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 = 448437   

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
ALK tyrosine kinase receptor (L1196M) (Homo sapiens (Human))	BDBM448437 (US10695347, Compound I-3) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccsc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C25H33ClN6O3S2/c1-16(2)37(33,34)24-21(10-13-36-24)28-23-19(26)15-27-25(30-23)29-20-7-6-18(14-22(20)35-5)32-11-8-17(9-12-32)31(3)4/h6-7,10,13-17H,8-9,11-12H2,1-5H3,(H2,27,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. US Patent					Assay Description 1× Kinase Buffer 50 mM HEPES. pH 7.5 0.0015% Brij-35 10 mM MgCl2 2 mM DTT 2) stop buffer 100 mM HEPES, pH 7...				US Patent US10695347 (2020)
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM448437 (US10695347, Compound I-3) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccsc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C25H33ClN6O3S2/c1-16(2)37(33,34)24-21(10-13-36-24)28-23-19(26)15-27-25(30-23)29-20-7-6-18(14-22(20)35-5)32-11-8-17(9-12-32)31(3)4/h6-7,10,13-17H,8-9,11-12H2,1-5H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. US Patent					Assay Description 1× Kinase Buffer 50 mM HEPES. pH 7.5 0.0015% Brij-35 10 mM MgCl2 2 mM DTT 2) stop buffer 100 mM HEPES, pH 7...				US Patent US10695347 (2020)
					More data for this Ligand-Target Pair