BDBM261711 US9708295, 53

SMILES: CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C

InChI Key: InChIKey=FSOVRVNYQVYZPX-LSDHHAIUSA-N

Data: 4 KI  1 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 5 hits for monomerid = 261711   

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 (F1174L) (Homo sapiens (Human))	BDBM261711 (US9708295, 53) Show SMILES CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C Show InChI InChI=1S/C25H28Cl2FN5O2/c1-4-34-20-10-22(33-8-7-30-11-14(33)2)31-13-17(20)16-9-21(25(29)32-12-16)35-15(3)23-18(26)5-6-19(28)24(23)27/h5-6,9-10,12-15,30H,4,7-8,11H2,1-3H3,(H2,29,32)/t14-,15+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	US Patent	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chia Tai Tianqing Pharmaceutical Group Co., Ltd US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (R1275Q) (Homo sapiens (Human))	BDBM261711 (US9708295, 53) Show SMILES CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C Show InChI InChI=1S/C25H28Cl2FN5O2/c1-4-34-20-10-22(33-8-7-30-11-14(33)2)31-13-17(20)16-9-21(25(29)32-12-16)35-15(3)23-18(26)5-6-19(28)24(23)27/h5-6,9-10,12-15,30H,4,7-8,11H2,1-3H3,(H2,29,32)/t14-,15+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	US Patent	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chia Tai Tianqing Pharmaceutical Group Co., Ltd US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M) (Homo sapiens (Human))	BDBM261711 (US9708295, 53) Show SMILES CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C Show InChI InChI=1S/C25H28Cl2FN5O2/c1-4-34-20-10-22(33-8-7-30-11-14(33)2)31-13-17(20)16-9-21(25(29)32-12-16)35-15(3)23-18(26)5-6-19(28)24(23)27/h5-6,9-10,12-15,30H,4,7-8,11H2,1-3H3,(H2,29,32)/t14-,15+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	32.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chia Tai Tianqing Pharmaceutical Group Co., Ltd US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (G1269S) (Homo sapiens (Human))	BDBM261711 (US9708295, 53) Show SMILES CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C Show InChI InChI=1S/C25H28Cl2FN5O2/c1-4-34-20-10-22(33-8-7-30-11-14(33)2)31-13-17(20)16-9-21(25(29)32-12-16)35-15(3)23-18(26)5-6-19(28)24(23)27/h5-6,9-10,12-15,30H,4,7-8,11H2,1-3H3,(H2,29,32)/t14-,15+/m0/s1	PDB GoogleScholar	PC cid PC sid UniChem	US Patent	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chia Tai Tianqing Pharmaceutical Group Co., Ltd US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM261711 (US9708295, 53) Show SMILES CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C Show InChI InChI=1S/C25H28Cl2FN5O2/c1-4-34-20-10-22(33-8-7-30-11-14(33)2)31-13-17(20)16-9-21(25(29)32-12-16)35-15(3)23-18(26)5-6-19(28)24(23)27/h5-6,9-10,12-15,30H,4,7-8,11H2,1-3H3,(H2,29,32)/t14-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	13.9	n/a	n/a	n/a	n/a	n/a	n/a
Chia Tai Tianqing Pharmaceutical Group Co., Ltd US Patent					Assay Description The following method was used to determine ALK kinase inhibitory activity of the compounds of the present invention. The inhibitory activity is indic...				US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair