Compile Data Set for Download or QSAR

Found 1564 hits with Last Name = 'jun' and Initial = 'hj'   

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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50044625 (CHEMBL3360190) Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CC\C=C\CCC2=C |r,t:11| Show InChI InChI=1S/C14H22/c1-11-8-6-4-5-7-9-13-12(11)10-14(13,2)3/h4-5,12-13H,1,6-10H2,2-3H3/b5-4+/t12?,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of CB2 receptor (unknown origin)				Bioorg Med Chem Lett 24: 3168-74 (2014) Article DOI: 10.1016/j.bmcl.2014.04.112 BindingDB Entry DOI: 10.7270/Q2SN0BK2
					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
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
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 (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
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
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
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))	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
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
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50467129 (CHEMBL4278280) Show SMILES CCCCc1nc(C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C30H33N5O3S/c1-3-4-11-26-31-20(2)25(18-27(39)34-16-7-8-17-34)29(36)35(26)19-21-12-14-22(15-13-21)23-9-5-6-10-24(23)28-32-30(37)38-33-28/h5-6,9-10,12-15H,3-4,7-8,11,16-19H2,1-2H3,(H,32,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Boryung Pharmaceuticals Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay				Bioorg Med Chem Lett 28: 3155-3160 (2018) Article DOI: 10.1016/j.bmcl.2018.08.036 BindingDB Entry DOI: 10.7270/Q2X63QMZ
					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
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
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))	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
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
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))	BDBM243373 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-me...) Show SMILES COc1cc2CN(CCO)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C25H30ClN5O4S/c1-16(2)36(33,34)23-7-5-4-6-20(23)28-24-19(26)14-27-25(30-24)29-21-12-17-8-9-31(10-11-32)15-18(17)13-22(21)35-3/h4-7,12-14,16,32H,8-11,15H2,1-3H3,(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
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM243373 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-me...) Show SMILES COc1cc2CN(CCO)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C25H30ClN5O4S/c1-16(2)36(33,34)23-7-5-4-6-20(23)28-24-19(26)14-27-25(30-24)29-21-12-17-8-9-31(10-11-32)15-18(17)13-22(21)35-3/h4-7,12-14,16,32H,8-11,15H2,1-3H3,(H2,27,28,29,30)	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
					More data for this Ligand-Target Pair
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	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
					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	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
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM243425 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-me...) Show SMILES CCN1CCc2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C1 Show InChI InChI=1S/C25H30ClN5O3S/c1-5-31-11-10-17-13-22(34-4)21(12-18(17)15-31)29-25-27-14-19(26)24(30-25)28-20-8-6-7-9-23(20)35(32,33)16(2)3/h6-9,12-14,16H,5,10-11,15H2,1-4H3,(H2,27,28,29,30)	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
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 1 (Rattus norvegicus)	BDBM50557417 (CHEMBL4762591) Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2Cl)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 FAP (unknown origin) using AMC substrate by fluorometric assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127846 BindingDB Entry DOI: 10.7270/Q2PN999J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50557433 (CHEMBL4746891) Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CSc2ccc(Cl)c(Cl)c2)n1 |r| Show InChI	PDB UniProtKB/SwissProt 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 PREP (unknown origin) using AMC substrate by fluorometric assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127846 BindingDB Entry DOI: 10.7270/Q2PN999J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50557417 (CHEMBL4762591) Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2Cl)n1 |r| Show InChI	PDB UniProtKB/SwissProt 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 PREP (unknown origin) using AMC substrate by fluorometric assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127846 BindingDB Entry DOI: 10.7270/Q2PN999J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50557413 (CHEMBL4758377) Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccccc2I)n1 |r| Show InChI	PDB UniProtKB/SwissProt 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 PREP (unknown origin) using AMC substrate by fluorometric assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127846 BindingDB Entry DOI: 10.7270/Q2PN999J
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM292002 (US10100019, Example 73) Show SMILES COc1ccc(CCN2CCNCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H33ClN6O3S/c1-18(2)37(34,35)24-7-5-4-6-21(24)30-25-20(27)17-29-26(32-25)31-22-16-19(8-9-23(22)36-3)10-13-33-14-11-28-12-15-33/h4-9,16-18,28H,10-15H2,1-3H3,(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	1	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))	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
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM238943 (US9403831, 32) Show SMILES OCCn1cc(cn1)-c1cnc(nc1)N1CCOC(Cn2nnc3ncc(nc23)-c2ccc(F)c(c2)C#N)C1 Show InChI InChI=1S/C25H22FN11O2/c26-21-2-1-16(7-17(21)8-27)22-12-28-23-24(32-22)37(34-33-23)15-20-14-35(4-6-39-20)25-29-9-18(10-30-25)19-11-31-36(13-19)3-5-38/h1-2,7,9-13,20,38H,3-6,14-15H2	PDB MMDB 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; HANDOK INC. US Patent					Assay Description The c-Met kinase inhibitory activity was analyzed using dissociation enhanced lanthanide fluoro-immunoassay (DELFIA, Perkin Elmer), which is a kind o...				US Patent US9403831 (2016) BindingDB Entry DOI: 10.7270/Q2TD9W7H
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM243382 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-me...) Show SMILES COc1cc2CNCC3(CCCC3)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C27H32ClN5O3S/c1-17(2)37(34,35)24-9-5-4-8-21(24)31-25-20(28)15-30-26(33-25)32-22-13-19-18(12-23(22)36-3)14-29-16-27(19)10-6-7-11-27/h4-5,8-9,12-13,15,17,29H,6-7,10-11,14,16H2,1-3H3,(H2,30,31,32,33)	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
					More data for this Ligand-Target Pair

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