BDBM245220 US9428500, 14

SMILES: CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(cc4)C(F)(F)F)c3c2c1

InChI Key: InChIKey=XDWXZZIZKQCZCZ-GORDUTHDSA-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 = 245220   

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))	BDBM245220 (US9428500, 14) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(cc4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C31H27F3N4/c1-37-16-18-38(19-17-37)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-35-30(29)36-28)5-2-21-3-9-25(10-4-21)31(32,33)34/h2-15,20H,16-19H2,1H3,(H,35,36)/b5-2+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	7.5	30
UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON US Patent					Assay Description GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...				US Patent US9428500 (2016) BindingDB Entry DOI: 10.7270/Q2CR5S8M
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM245220 (US9428500, 14) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(cc4)C(F)(F)F)c3c2c1 Show InChI InChI=1S/C31H27F3N4/c1-37-16-18-38(19-17-37)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-35-30(29)36-28)5-2-21-3-9-25(10-4-21)31(32,33)34/h2-15,20H,16-19H2,1H3,(H,35,36)/b5-2+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	7.5	30
UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON US Patent					Assay Description GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...				US Patent US9428500 (2016) BindingDB Entry DOI: 10.7270/Q2CR5S8M
					More data for this Ligand-Target Pair