null

SMILES: COc1cc2CCN(CCN(C)C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

InChI Key: InChIKey=RVSAJPCEEDMVAU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 243429   

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 (Homo sapiens (Human))	BDBM243429 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-(2...) Show SMILES COc1cc2CCN(CCN(C)C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C27H35ClN6O3S/c1-18(2)38(35,36)25-9-7-6-8-22(25)30-26-21(28)16-29-27(32-26)31-23-14-20-17-34(13-12-33(3)4)11-10-19(20)15-24(23)37-5/h6-9,14-16,18H,10-13,17H2,1-5H3,(H2,29,30,31,32)	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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM243429 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-(2...) Show SMILES COc1cc2CCN(CCN(C)C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C27H35ClN6O3S/c1-18(2)38(35,36)25-9-7-6-8-22(25)30-26-21(28)16-29-27(32-26)31-23-14-20-17-34(13-12-33(3)4)11-10-19(20)15-24(23)37-5/h6-9,14-16,18H,10-13,17H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of crizotinib-resistant ALK L1196M mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...				Citation and Details Article DOI: 10.1016/j.bmc.2015.12.004 BindingDB Entry DOI: 10.7270/Q269778Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM243429 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-(2...) Show SMILES COc1cc2CCN(CCN(C)C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C27H35ClN6O3S/c1-18(2)38(35,36)25-9-7-6-8-22(25)30-26-21(28)16-29-27(32-26)31-23-14-20-17-34(13-12-33(3)4)11-10-19(20)15-24(23)37-5/h6-9,14-16,18H,10-13,17H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay				Citation and Details Article DOI: 10.1016/j.bmc.2015.12.004 BindingDB Entry DOI: 10.7270/Q269778Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM243429 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-(2...) Show SMILES COc1cc2CCN(CCN(C)C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C27H35ClN6O3S/c1-18(2)38(35,36)25-9-7-6-8-22(25)30-26-21(28)16-29-27(32-26)31-23-14-20-17-34(13-12-33(3)4)11-10-19(20)15-24(23)37-5/h6-9,14-16,18H,10-13,17H2,1-5H3,(H2,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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