null

SMILES: COc1ccc(\C=C\c2ccnc3[nH]c4ccc(cc4c23)-c2ccc(cc2)N2CCN(C)CC2)cc1

InChI Key: InChIKey=JRYIZRGVAWWBDA-ZZXKWVIFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 245213   

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))	BDBM245213 (US9428500, 7) Show SMILES COc1ccc(\C=C\c2ccnc3[nH]c4ccc(cc4c23)-c2ccc(cc2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C31H30N4O/c1-34-17-19-35(20-18-34)26-10-7-23(8-11-26)25-9-14-29-28(21-25)30-24(15-16-32-31(30)33-29)6-3-22-4-12-27(36-2)13-5-22/h3-16,21H,17-20H2,1-2H3,(H,32,33)/b6-3+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	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))	BDBM245213 (US9428500, 7) Show SMILES COc1ccc(\C=C\c2ccnc3[nH]c4ccc(cc4c23)-c2ccc(cc2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C31H30N4O/c1-34-17-19-35(20-18-34)26-10-7-23(8-11-26)25-9-14-29-28(21-25)30-24(15-16-32-31(30)33-29)6-3-22-4-12-27(36-2)13-5-22/h3-16,21H,17-20H2,1-2H3,(H,32,33)/b6-3+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+3	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