BDBM243381 1-(6-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino)pyrimidin-2-yl)amino-7-methoxy-1H-spiro[cyclopentane-1,4-isoquinoline]-2(3H)-yl)-2,2,2-trifluoroethane-1-one::US10053458, 13

SMILES: COc1cc2CN(CC3(CCCC3)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)C(F)(F)F

InChI Key: InChIKey=DSRGEMNENJQLMQ-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 = 243381   

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))	BDBM243381 (1-(6-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino...) Show SMILES COc1cc2CN(CC3(CCCC3)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)C(F)(F)F Show InChI InChI=1S/C29H31ClF3N5O4S/c1-17(2)43(40,41)24-9-5-4-8-21(24)35-25-20(30)14-34-27(37-25)36-22-13-19-18(12-23(22)42-3)15-38(26(39)29(31,32)33)16-28(19)10-6-7-11-28/h4-5,8-9,12-14,17H,6-7,10-11,15-16H2,1-3H3,(H2,34,35,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY US Patent									US Patent US10053458 (2018) BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM243381 (1-(6-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino...) Show SMILES COc1cc2CN(CC3(CCCC3)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)C(F)(F)F Show InChI InChI=1S/C29H31ClF3N5O4S/c1-17(2)43(40,41)24-9-5-4-8-21(24)35-25-20(30)14-34-27(37-25)36-22-13-19-18(12-23(22)42-3)15-38(26(39)29(31,32)33)16-28(19)10-6-7-11-28/h4-5,8-9,12-14,17H,6-7,10-11,15-16H2,1-3H3,(H2,34,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	25
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY US Patent					Assay Description A proliferation inhibitory activity against the ALK of the compound represented by Chemical Formula 1 according to the present invention at an enzyme...				US Patent US10053458 (2018) BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
					More data for this Ligand-Target Pair