Compile Data Set for Download or QSAR

Found 1210 hits with Last Name = 'yun' and Initial = 'c'   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245603 (CHEMBL4096207) Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C36H37N5O5S/c1-4-33(42)38-29-20-25(12-13-27(29)35(44)41-14-16-46-17-15-41)37-30-18-24(21-40(3)36(30)45)26-9-7-10-28(22(26)2)39-34(43)32-19-23-8-5-6-11-31(23)47-32/h4,7,9-10,12-13,18-21,37H,1,5-6,8,11,14-17H2,2-3H3,(H,38,42)(H,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245586 (CHEMBL4077123) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C38H41N5O5/c1-7-34(44)40-32-22-28(15-16-30(32)36(46)43-17-19-48-20-18-43)39-33-21-26(23-42(6)37(33)47)29-9-8-10-31(24(29)2)41-35(45)25-11-13-27(14-12-25)38(3,4)5/h7-16,21-23,39H,1,17-20H2,2-6H3,(H,40,44)(H,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245587 (CHEMBL4077064 | US10000483, Compound II-4) Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50161162 (AVL-292 | CC-292 | Spebrutinib | US10596172, Compo...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C19H18ClN3O/c20-13-9-11-7-8-21-14-6-5-10-3-1-2-4-12(10)16(14)15(11)18-17(13)22-19(24)23-18/h1-4,9,14,16,21H,5-8H2,(H2,22,23,24)/t14-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50020471 (CHEMBL3290142) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1 Show InChI InChI=1S/C29H23F3N6O3/c1-3-25(39)35-20-8-5-9-21(13-20)38-28-33-15-23(16-34-28)37-27(41)24-14-22(11-10-17(24)2)36-26(40)18-6-4-7-19(12-18)29(30,31)32/h3-16H,1H2,2H3,(H,35,39)(H,36,40)(H,37,41)(H,33,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245588 (CHEMBL4085868) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C36H38N6O5/c1-6-33(43)38-31-21-26(12-15-29(31)35(45)42-16-18-47-19-17-42)37-32-20-25(22-41(5)36(32)46)28-8-7-9-30(23(28)2)39-34(44)24-10-13-27(14-11-24)40(3)4/h6-15,20-22,37H,1,16-19H2,2-5H3,(H,38,43)(H,39,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50403056 (CHEMBL2216827 | US10596172, Compound I-342 | US108...) Show SMILES CNC(=O)c1cc(Oc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)ccn1 Show InChI InChI=1S/C26H22FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h3-15H,1H2,2H3,(H,28,36)(H,31,35)(H2,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50397078 (CHEMBL2171452) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed type inhibition of human DNMT3A using AdoMet as substrate				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127908 BindingDB Entry DOI: 10.7270/Q27H1PCJ
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50397078 (CHEMBL2171452) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	5.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human DNMT3A catalytic domain assessed as inhibition of enzyme-mediated DNA methylation using 3H-AdoMet as substrate incubated fo...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127908 BindingDB Entry DOI: 10.7270/Q27H1PCJ
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50427452 (CHEMBL2326941) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	9.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Uncompetitive inhibition of human DNMT3A using AdoMet as substrate				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127908 BindingDB Entry DOI: 10.7270/Q27H1PCJ
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50427452 (CHEMBL2326941) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Uncompetitive inhibition of human DNMT3A using poly dl-dC as substrate				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127908 BindingDB Entry DOI: 10.7270/Q27H1PCJ
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50397078 (CHEMBL2171452) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed type inhibition of human DNMT3A using poly dl-dC as substrate				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127908 BindingDB Entry DOI: 10.7270/Q27H1PCJ
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50427452 (CHEMBL2326941) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human DNMT3A catalytic domain assessed as inhibition of enzyme-mediated DNA methylation using 3H-AdoMet as substrate incubated fo...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127908 BindingDB Entry DOI: 10.7270/Q27H1PCJ
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50427452 (CHEMBL2326941) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human DNMT3A catalytic domain assessed as inhibition of enzyme-mediated DNA methylation using poly dl-dC as substrate incubated f...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127908 BindingDB Entry DOI: 10.7270/Q27H1PCJ
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50397078 (CHEMBL2171452) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human DNMT3A catalytic domain assessed as inhibition of enzyme-mediated DNA methylation using poly dl-dC as substrate incubated f...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127908 BindingDB Entry DOI: 10.7270/Q27H1PCJ
					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
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
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 (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
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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50582238 (CHEMBL5076986) Show SMILES CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)cc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) measured by ELISA				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00555 BindingDB Entry DOI: 10.7270/Q2CC14KG
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
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
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
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
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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50582234 (CHEMBL5084760) Show SMILES CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)cc1C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) measured by ELISA				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00555 BindingDB Entry DOI: 10.7270/Q2CC14KG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50582243 (CHEMBL5081174) Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cc(Cl)c(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)cc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) measured by ELISA				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00555 BindingDB Entry DOI: 10.7270/Q2CC14KG
					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))	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

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