Compile Data Set for Download or QSAR

Found 1308 hits with Last Name = 'kim' and Initial = 'hr'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM50267969 (Sargahydroquinoic Acid) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#8])cc(-[#6])c1-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C27H38O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)17-22(5)26(24)29/h9-10,14-15,17-18,28-29H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Food and Life Science, Pukyong National University, Busan 608-737, Republic of Korea. Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human BACE1 using Rh-EVNLDAEFK-Quencher as substrate after 60 mins by Dixon plot analysis				Bioorg Med Chem 25: 3964-3970 (2017) Article DOI: 10.1016/j.bmc.2017.05.033 BindingDB Entry DOI: 10.7270/Q2K076RW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50267968 (CHEMBL4085945) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-c2c(-[#6])cc(-[#8])cc2-[#6]=[#6]1)-[#6](-[#8])=O |c:27| Show InChI InChI=1S/C27H36O4/c1-19(2)9-6-12-22(26(29)30)13-7-10-20(3)11-8-15-27(5)16-14-23-18-24(28)17-21(4)25(23)31-27/h9,11,13-14,16-18,28H,6-8,10,12,15H2,1-5H3,(H,29,30)/b20-11+,22-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Food and Life Science, Pukyong National University, Busan 608-737, Republic of Korea. Curated by ChEMBL					Assay Description Noncompetitive inhibition of recombinant human BACE1 using Rh-EVNLDAEFK-Quencher as substrate after 60 mins by Dixon plot analysis				Bioorg Med Chem 25: 3964-3970 (2017) Article DOI: 10.1016/j.bmc.2017.05.033 BindingDB Entry DOI: 10.7270/Q2K076RW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50267967 (CHEMBL4064412) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6]-[#6](=O)-[#6]=[#6](-[#6])-[#6]-1=O)-[#6](-[#8])=O |t:19,23| Show InChI InChI=1S/C27H36O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)17-22(5)26(24)29/h9-10,14-15,17-18H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Food and Life Science, Pukyong National University, Busan 608-737, Republic of Korea. Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human BACE1 using Rh-EVNLDAEFK-Quencher as substrate after 60 mins by Dixon plot analysis				Bioorg Med Chem 25: 3964-3970 (2017) Article DOI: 10.1016/j.bmc.2017.05.033 BindingDB Entry DOI: 10.7270/Q2K076RW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512366 (US11084824, Example 21) Show SMILES CC(C)N1CCc2ccc(Nc3ncc4c(Nc5c(C)cccc5C)nn(C)c4n3)cc2C1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50384024 (CHEMBL2032280 | CHEMBL2079349) Show SMILES Cc1c(O)ccc2nc(oc12)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C21H22N6O2/c1-12-18(28)3-2-17-19(12)29-21(26-17)16-8-13(9-24-20(16)22)14-10-25-27(11-14)15-4-6-23-7-5-15/h2-3,8-11,15,23,28H,4-7H2,1H3,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis				Bioorg Med Chem Lett 22: 4044-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.083 BindingDB Entry DOI: 10.7270/Q2FF3TC4
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM243386 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-is...) Show SMILES CC(C)Oc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C25H30ClN5O3S/c1-15(2)34-22-12-18-13-27-10-9-17(18)11-21(22)30-25-28-14-19(26)24(31-25)29-20-7-5-6-8-23(20)35(32,33)16(3)4/h5-8,11-12,14-16,27H,9-10,13H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.210	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))	BDBM243402 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-me...) Show SMILES COc1cc2CCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C23H26ClN5O3S/c1-14(2)33(30,31)21-7-5-4-6-18(21)27-22-17(24)13-26-23(29-22)28-19-10-16-12-25-9-8-15(16)11-20(19)32-3/h4-7,10-11,13-14,25H,8-9,12H2,1-3H3,(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of crizotinib-resistant ALK G1269A 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))	BDBM243393 (5-chloro-N4-2-(isopropylsulfonyl)phenyl)-N2-(7-met...) Show SMILES COc1cc2C(C)NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C24H28ClN5O3S/c1-14(2)34(31,32)22-8-6-5-7-19(22)28-23-18(25)13-27-24(30-23)29-20-11-16-9-10-26-15(3)17(16)12-21(20)33-4/h5-8,11-15,26H,9-10H2,1-4H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	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))	BDBM243395 (5-chloro-N4-2-(isopropylsulfonyl)phenyl)-N2-(7-met...) Show SMILES CCC1NCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc12 Show InChI InChI=1S/C25H30ClN5O3S/c1-5-19-17-13-22(34-4)21(12-16(17)10-11-27-19)30-25-28-14-18(26)24(31-25)29-20-8-6-7-9-23(20)35(32,33)15(2)3/h6-9,12-15,19,27H,5,10-11H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50380974 (CHEMBL2016903) Show SMILES Fc1ccc2[nH]c(=O)c(cc2c1)-c1nc2CCN(Cc2[nH]1)C(=O)c1ccncc1 Show InChI InChI=1S/C21H16FN5O2/c22-14-1-2-16-13(9-14)10-15(20(28)26-16)19-24-17-5-8-27(11-18(17)25-19)21(29)12-3-6-23-7-4-12/h1-4,6-7,9-10H,5,8,11H2,(H,24,25)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant VEGFR-2 kinase domain by homogeneous time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 2837-42 (2012) Article DOI: 10.1016/j.bmcl.2012.02.073 BindingDB Entry DOI: 10.7270/Q2RN38W3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512370 (US11084824, Example 25) Show SMILES Cc1cccc(C)c1Nc1nn(C2CCCC2)c2nc(Nc3ccc4CCNCc4c3)ncc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512369 (US11084824, Example 24) Show SMILES CC1N=C(Nc2c(C)cccc2C)c2cnc(Nc3ccc4CCN(CCO)Cc4c3)nc12 |t:2| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512364 (Preparation of N3-(2,6-dimethylphenyl)-N6-(1,2,3,4...) Show SMILES Cc1cccc(C)c1Nc1n[nH]c2nc(Nc3ccc4CCNCc4c3)ncc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512368 (US11084824, Example 23) Show SMILES Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CCN(Cc4c3)C(=O)C3CC3)ncc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM243393 (5-chloro-N4-2-(isopropylsulfonyl)phenyl)-N2-(7-met...) Show SMILES COc1cc2C(C)NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C24H28ClN5O3S/c1-14(2)34(31,32)22-8-6-5-7-19(22)28-23-18(25)13-27-24(30-23)29-20-11-16-9-10-26-15(3)17(16)12-21(20)33-4/h5-8,11-15,26H,9-10H2,1-4H3,(H2,27,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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))	BDBM50240271 (CHEMBL4101954) Show SMILES COc1cc2N3CCNN=C3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |c:9| Show InChI InChI=1S/C25H28ClN7O3S/c1-15(2)37(34,35)22-7-5-4-6-18(22)29-24-17(26)14-27-25(31-24)30-19-12-16-8-9-23-32-28-10-11-33(23)20(16)13-21(19)36-3/h4-7,12-15,28H,8-11H2,1-3H3,(H2,27,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50116683 (CHEMBL3608526 | US10053458, 49) Show SMILES CCN1CCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1 Show InChI InChI=1S/C26H32ClN5O3S/c1-5-32-12-8-9-18-13-22(23(35-4)14-19(18)16-32)30-26-28-15-20(27)25(31-26)29-21-10-6-7-11-24(21)36(33,34)17(2)3/h6-7,10-11,13-15,17H,5,8-9,12,16H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.380	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512367 (US11084824, Example 22) Show SMILES Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CCN(Cc4c3)C(=O)CO)ncc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM291934 (US10100019, Example 4) Show SMILES COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C22H26ClN5O3S/c1-14(2)32(29,30)20-7-5-4-6-17(20)26-21-16(23)13-25-22(28-21)27-18-12-15(10-11-24)8-9-19(18)31-3/h4-9,12-14H,10-11,24H2,1-3H3,(H2,25,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	25
Korea Research Institute of Chemical Technology US Patent					Assay Description The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...				US Patent US10100019 (2018) BindingDB Entry DOI: 10.7270/Q2125VPT
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM243402 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-me...) Show SMILES COc1cc2CCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C23H26ClN5O3S/c1-14(2)33(30,31)21-7-5-4-6-18(21)27-22-17(24)13-26-23(29-22)28-19-10-16-12-25-9-8-15(16)11-20(19)32-3/h4-7,10-11,13-14,25H,8-9,12H2,1-3H3,(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of crizotinib-resistant ALK C1156Y 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))	BDBM243402 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-me...) Show SMILES COc1cc2CCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C23H26ClN5O3S/c1-14(2)33(30,31)21-7-5-4-6-18(21)27-22-17(24)13-26-23(29-22)28-19-10-16-12-25-9-8-15(16)11-20(19)32-3/h4-7,10-11,13-14,25H,8-9,12H2,1-3H3,(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of crizotinib-resistant ALK F1174L 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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512351 (US11084824, Example 2 | US11084824, Example 20) Show SMILES Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CCNCc4c3)ncc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512363 (US11084824, Example 18) Show SMILES Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CCOCc4c3)ncc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50157303 (CHEMBL3785774) Show SMILES COc1cc2c(CC\C(=N/N3CCN(C)CC3)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C31H40ClN7O3S/c1-20(2)43(40,41)27-10-8-7-9-24(27)34-29-23(32)19-33-30(36-29)35-25-17-21-11-12-28(37-39-15-13-38(5)14-16-39)31(3,4)22(21)18-26(25)42-6/h7-10,17-20H,11-16H2,1-6H3,(H2,33,34,35,36)/b37-28+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay				Bioorg Med Chem Lett 26: 1720-5 (2016) Article DOI: 10.1016/j.bmcl.2016.02.052 BindingDB Entry DOI: 10.7270/Q2TF007P
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50380971 (CHEMBL2016927) Show SMILES Clc1ccc2[nH]c(=O)c(cc2c1)-c1nc2CCN(Cc2[nH]1)C(=O)Cc1ccncc1 Show InChI InChI=1S/C22H18ClN5O2/c23-15-1-2-17-14(10-15)11-16(22(30)27-17)21-25-18-5-8-28(12-19(18)26-21)20(29)9-13-3-6-24-7-4-13/h1-4,6-7,10-11H,5,8-9,12H2,(H,25,26)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant VEGFR-2 kinase domain by homogeneous time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 2837-42 (2012) Article DOI: 10.1016/j.bmcl.2012.02.073 BindingDB Entry DOI: 10.7270/Q2RN38W3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50116690 (CHEMBL3608528 | US10053458, 67) Show SMILES CCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2CC1 Show InChI InChI=1S/C26H32ClN5O3S/c1-5-32-12-10-18-14-22(23(35-4)15-19(18)11-13-32)30-26-28-16-20(27)25(31-26)29-21-8-6-7-9-24(21)36(33,34)17(2)3/h6-9,14-17H,5,10-13H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.520	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512388 (US11084824, Example 53) Show SMILES Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CC(C)(C)NCc4c3)ncc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.523	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM243386 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-is...) Show SMILES CC(C)Oc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C25H30ClN5O3S/c1-15(2)34-22-12-18-13-27-10-9-17(18)11-21(22)30-25-28-14-19(26)24(31-25)29-20-7-5-6-8-23(20)35(32,33)16(3)4/h5-8,11-12,14-16,27H,9-10,13H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.540	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 (Homo sapiens (Human))	BDBM50116696 (CHEMBL3608534 | US10053458, 52) Show SMILES COc1cc2CN(CCO)CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H32ClN5O4S/c1-17(2)37(34,35)24-9-5-4-8-21(24)29-25-20(27)15-28-26(31-25)30-22-13-18-7-6-10-32(11-12-33)16-19(18)14-23(22)36-3/h4-5,8-9,13-15,17,33H,6-7,10-12,16H2,1-3H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.550	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512351 (US11084824, Example 2 | US11084824, Example 20) Show SMILES Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CCNCc4c3)ncc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50384038 (CHEMBL2032155) Show SMILES Nc1ncc(cc1-c1nc2cccc(-c3ccccn3)c2o1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C25H23N7O/c26-24-20(12-16(13-29-24)17-14-30-32(15-17)18-7-10-27-11-8-18)25-31-22-6-3-4-19(23(22)33-25)21-5-1-2-9-28-21/h1-6,9,12-15,18,27H,7-8,10-11H2,(H2,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 by time resolved-fluorescence resonance energy transfer analysis				Bioorg Med Chem Lett 22: 4044-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.083 BindingDB Entry DOI: 10.7270/Q2FF3TC4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512350 (US11084824, Example 1) Show SMILES CC(=O)N1CCc2ccc(Nc3ncc4c(Nc5c(C)cccc5C)nn(C)c4n3)cc2C1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50116699 (CHEMBL3608642 | US10053458, 53) Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1 Show InChI InChI=1S/C29H37ClN6O3S/c1-19(2)40(37,38)27-9-5-4-8-24(27)33-28-23(30)17-32-29(35-28)34-25-15-20-7-6-14-36(22-10-12-31-13-11-22)18-21(20)16-26(25)39-3/h4-5,8-9,15-17,19,22,31H,6-7,10-14,18H2,1-3H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.660	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512360 (Preparation of N3-(2,6-dichlorophenyl)-1-methyl-N6...) Show SMILES Cn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc4CNCCc4c3)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM50116696 (CHEMBL3608534 | US10053458, 52) Show SMILES COc1cc2CN(CCO)CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H32ClN5O4S/c1-17(2)37(34,35)24-9-5-4-8-21(24)29-25-20(27)15-28-26(31-25)30-22-13-18-7-6-10-32(11-12-33)16-19(18)14-23(22)36-3/h4-5,8-9,13-15,17,33H,6-7,10-12,16H2,1-3H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	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))	BDBM50157313 (CHEMBL3786892) Show SMILES COc1cc2c(CCC(N)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H32ClN5O3S/c1-15(2)36(33,34)22-9-7-6-8-19(22)30-24-18(27)14-29-25(32-24)31-20-12-16-10-11-23(28)26(3,4)17(16)13-21(20)35-5/h6-9,12-15,23H,10-11,28H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay				Bioorg Med Chem Lett 26: 1720-5 (2016) Article DOI: 10.1016/j.bmcl.2016.02.052 BindingDB Entry DOI: 10.7270/Q2TF007P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512377 (US11084824, Example 32) Show SMILES CCN1CCc2ccc(NC3NC=c4c(Nc5c(C)cccc5C)nn(C)c4=N3)cc2C1 |c:29,t:12| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50380968 (CHEMBL2016924) Show SMILES Fc1ccc2[nH]c(=O)c(cc2c1)-c1nc2CCN(Cc2[nH]1)C(=O)Cc1ccccn1 Show InChI InChI=1S/C22H18FN5O2/c23-14-4-5-17-13(9-14)10-16(22(30)27-17)21-25-18-6-8-28(12-19(18)26-21)20(29)11-15-3-1-2-7-24-15/h1-5,7,9-10H,6,8,11-12H2,(H,25,26)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant VEGFR-2 kinase domain by homogeneous time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 2837-42 (2012) Article DOI: 10.1016/j.bmcl.2012.02.073 BindingDB Entry DOI: 10.7270/Q2RN38W3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512392 (Preparation of N3-(2,6-dimethylphenyl)-N6-(isoindo...) Show SMILES Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CNCc4c3)ncc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.745	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50116685 (CHEMBL3608644 | US10053458, 54) Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCOCC1 Show InChI InChI=1S/C29H36ClN5O4S/c1-19(2)40(36,37)27-9-5-4-8-24(27)32-28-23(30)17-31-29(34-28)33-25-15-20-7-6-12-35(22-10-13-39-14-11-22)18-21(20)16-26(25)38-3/h4-5,8-9,15-17,19,22H,6-7,10-14,18H2,1-3H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.780	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512354 (US11084824, Example 7) Show SMILES Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4CNCCc4c3)ncc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512376 (US11084824, Example 31) Show SMILES CCc1ccc(Nc2ncc3c(Nc4c(C)cccc4C)nn(C)c3n2)cc1CNC(=O)CN(C)C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM291943 (US10100019, Example 13) Show SMILES CCNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1 Show InChI InChI=1S/C24H30ClN5O3S/c1-5-26-13-12-17-10-11-21(33-4)20(14-17)29-24-27-15-18(25)23(30-24)28-19-8-6-7-9-22(19)34(31,32)16(2)3/h6-11,14-16,26H,5,12-13H2,1-4H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	25
Korea Research Institute of Chemical Technology US Patent					Assay Description The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...				US Patent US10100019 (2018) BindingDB Entry DOI: 10.7270/Q2125VPT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512390 (Preparation of N3-(2,6-dimethylphenyl)-1-methyl-N ...) Show SMILES CC1Cc2ccc(Nc3ncc4c(Nc5c(C)cccc5C)nn(C)c4n3)cc2C(C)N1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.847	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM291934 (US10100019, Example 4) Show SMILES COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C22H26ClN5O3S/c1-14(2)32(29,30)20-7-5-4-6-17(20)26-21-16(23)13-25-22(28-21)27-18-12-15(10-11-24)8-9-19(18)31-3/h4-9,12-14H,10-11,24H2,1-3H3,(H2,25,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology US Patent					Assay Description To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...				US Patent US10100019 (2018) BindingDB Entry DOI: 10.7270/Q2125VPT
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM291954 (US10100019, Example 24) Show SMILES COC(=O)CCNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1 Show InChI InChI=1S/C26H32ClN5O5S/c1-17(2)38(34,35)23-8-6-5-7-20(23)30-25-19(27)16-29-26(32-25)31-21-15-18(9-10-22(21)36-3)11-13-28-14-12-24(33)37-4/h5-10,15-17,28H,11-14H2,1-4H3,(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	0.880	n/a	n/a	n/a	n/a	n/a	25
Korea Research Institute of Chemical Technology US Patent					Assay Description The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...				US Patent US10100019 (2018) BindingDB Entry DOI: 10.7270/Q2125VPT
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM243370 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl-N2-(7-met...) Show SMILES COc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C23H26ClN5O3S/c1-14(2)33(30,31)21-7-5-4-6-18(21)27-22-17(24)13-26-23(29-22)28-19-10-15-8-9-25-12-16(15)11-20(19)32-3/h4-7,10-11,13-14,25H,8-9,12H2,1-3H3,(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	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
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM243376 (1-6-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino)...) Show SMILES COc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO Show InChI InChI=1S/C25H28ClN5O5S/c1-15(2)37(34,35)22-7-5-4-6-19(22)28-24-18(26)12-27-25(30-24)29-20-10-16-8-9-31(23(33)14-32)13-17(16)11-21(20)36-3/h4-7,10-12,15,32H,8-9,13-14H2,1-3H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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
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Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512355 (US11084824, Example 8) Show SMILES CC(=O)N1CCc2cc(Nc3ncc4c(Nc5c(C)cccc5C)nn(C)c4n3)ccc2C1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
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Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM512372 (US11084824, Example 27) Show SMILES CC(C)n1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc4CCNCc4c3)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP27KP
					More data for this Ligand-Target Pair

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