null

SMILES: COc1ccc(Cc2ccc(cc2)-c2ccnc3[nH]c4ccc(cc4c23)-c2ccc(cc2)N2CCN(C)CC2)c(OC)c1

InChI Key: InChIKey=WBHQPXXUWKLHMV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 245232   

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))	BDBM245232 (US9428500, 26) Show SMILES COc1ccc(Cc2ccc(cc2)-c2ccnc3[nH]c4ccc(cc4c23)-c2ccc(cc2)N2CCN(C)CC2)c(OC)c1 Show InChI InChI=1S/C37H36N4O2/c1-40-18-20-41(21-19-40)30-12-8-26(9-13-30)28-11-15-34-33(23-28)36-32(16-17-38-37(36)39-34)27-6-4-25(5-7-27)22-29-10-14-31(42-2)24-35(29)43-3/h4-17,23-24H,18-22H2,1-3H3,(H,38,39)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	590	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))	BDBM245232 (US9428500, 26) Show SMILES COc1ccc(Cc2ccc(cc2)-c2ccnc3[nH]c4ccc(cc4c23)-c2ccc(cc2)N2CCN(C)CC2)c(OC)c1 Show InChI InChI=1S/C37H36N4O2/c1-40-18-20-41(21-19-40)30-12-8-26(9-13-30)28-11-15-34-33(23-28)36-32(16-17-38-37(36)39-34)27-6-4-25(5-7-27)22-29-10-14-31(42-2)24-35(29)43-3/h4-17,23-24H,18-22H2,1-3H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	520	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