Compile Data Set for Download or QSAR

Found 742 hits with Last Name = 'cuervo' and Initial = 'jh'   

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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50115187 (2-[2-carboxy-1-(3-methyl-1-(1-(2-Iodo-phenyl)-3-[4...) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2I)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C30H38IN5O8/c1-16(2)13-22(27(40)34-23(15-25(38)39)28(41)36-26(17(3)4)29(42)43)33-24(37)14-18-9-11-19(12-10-18)32-30(44)35-21-8-6-5-7-20(21)31/h5-12,16-17,22-23,26H,13-15H2,1-4H3,(H,33,37)(H,34,40)(H,36,41)(H,38,39)(H,42,43)(H2,32,35,44)/t22-,23-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Inc. Curated by ChEMBL					Assay Description Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction				J Med Chem 45: 2988-93 (2002) BindingDB Entry DOI: 10.7270/Q24J0GDJ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50115186 (3-(4-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetylamino}...) Show SMILES CC(CC(O)=O)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)cc1 Show InChI InChI=1S/C26H27N3O4/c1-17-5-3-4-6-23(17)29-26(33)28-22-11-7-19(8-12-22)16-24(30)27-21-13-9-20(10-14-21)18(2)15-25(31)32/h3-14,18H,15-16H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Inc. Curated by ChEMBL					Assay Description Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction				J Med Chem 45: 2988-93 (2002) BindingDB Entry DOI: 10.7270/Q24J0GDJ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50115176 (2-Acetylamino-3-(4-{2-[4-(3-o-tolyl-ureido)-phenyl...) Show SMILES CC(=O)NC(Cc1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)cc1)C(O)=O Show InChI InChI=1S/C27H28N4O5/c1-17-5-3-4-6-23(17)31-27(36)30-22-13-9-20(10-14-22)16-25(33)29-21-11-7-19(8-12-21)15-24(26(34)35)28-18(2)32/h3-14,24H,15-16H2,1-2H3,(H,28,32)(H,29,33)(H,34,35)(H2,30,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Inc. Curated by ChEMBL					Assay Description Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction				J Med Chem 45: 2988-93 (2002) BindingDB Entry DOI: 10.7270/Q24J0GDJ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50115177 (CHEMBL103602 | [3-(3-{2-[4-(3-o-Tolyl-ureido)-phen...) Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2cccc(NC(=O)NCC(O)=O)c2)cc1 Show InChI InChI=1S/C25H25N5O5/c1-16-5-2-3-8-21(16)30-25(35)28-18-11-9-17(10-12-18)13-22(31)27-19-6-4-7-20(14-19)29-24(34)26-15-23(32)33/h2-12,14H,13,15H2,1H3,(H,27,31)(H,32,33)(H2,26,29,34)(H2,28,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Inc. Curated by ChEMBL					Assay Description Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction				J Med Chem 45: 2988-93 (2002) BindingDB Entry DOI: 10.7270/Q24J0GDJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348621 (US10577374, Compound 344 | US9790229, Compound 344) Show SMILES Nc1ncnc(N2CCOCC(C2)N2CCCC(Nc3cc(Cl)cc(Cl)c3)C2=O)c1F Show InChI InChI=1S/C20H23Cl2FN6O2/c21-12-6-13(22)8-14(7-12)27-16-2-1-3-29(20(16)30)15-9-28(4-5-31-10-15)19-17(23)18(24)25-11-26-19/h6-8,11,15-16,27H,1-5,9-10H2,(H2,24,25,26)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348622 (US10577374, Compound 345 | US9790229, Compound 345) Show SMILES Nc1ncnc(N2CCOCC(C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)c1F Show InChI InChI=1S/C20H23ClF2N6O2/c21-12-6-13(22)8-14(7-12)27-16-2-1-3-29(20(16)30)15-9-28(4-5-31-10-15)19-17(23)18(24)25-11-26-19/h6-8,11,15-16,27H,1-5,9-10H2,(H2,24,25,26)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348623 (US10577374, Compound 346 | US9790229, Compound 346) Show SMILES Nc1ncnc(N2CCC[C@H](C2)N2CCCC[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)c1F |r| Show InChI InChI=1S/C21H25ClF2N6O/c22-13-8-14(23)10-15(9-13)28-17-5-1-2-7-30(21(17)31)16-4-3-6-29(11-16)20-18(24)19(25)26-12-27-20/h8-10,12,16-17,28H,1-7,11H2,(H2,25,26,27)/t16-,17-/m1/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348624 (US10577374, Compound 347 | US9790229, Compound 347) Show SMILES Nc1ncnc(N2CCC[C@H](C2)N2CC=CC[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)c1F |r,c:15| Show InChI InChI=1S/C21H23ClF2N6O/c22-13-8-14(23)10-15(9-13)28-17-5-1-2-7-30(21(17)31)16-4-3-6-29(11-16)20-18(24)19(25)26-12-27-20/h1-2,8-10,12,16-17,28H,3-7,11H2,(H2,25,26,27)/t16-,17-/m1/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348625 (US10577374, Compound 348 | US9790229, Compound 348) Show SMILES Nc1ncnc(N2CCC[C@H](C2)N2CC(O)C(O)C[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)c1F |r| Show InChI InChI=1S/C21H25ClF2N6O3/c22-11-4-12(23)6-13(5-11)28-15-7-16(31)17(32)9-30(21(15)33)14-2-1-3-29(8-14)20-18(24)19(25)26-10-27-20/h4-6,10,14-17,28,31-32H,1-3,7-9H2,(H2,25,26,27)/t14-,15-,16?,17?/m1/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348626 (US10577374, Compound 349 | US9790229, Compound 349) Show SMILES Nc1ncnc(N2CCC(C(C2)N2CC=CC[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r,c:15| Show InChI InChI=1S/C22H22ClF5N6O/c23-12-7-13(24)9-14(8-12)32-16-3-1-2-5-34(21(16)35)17-10-33(6-4-15(17)22(26,27)28)20-18(25)19(29)30-11-31-20/h1-2,7-9,11,15-17,32H,3-6,10H2,(H2,29,30,31)/t15?,16-,17?/m1/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348627 (US10577374, Compound 350 | US9790229, Compound 350) Show SMILES Nc1ncnc(N2CC[C@H]([C@@H](C2)N2CC=CC[C@@H](Nc3cc(F)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r,c:15| Show InChI InChI=1S/C22H22ClF5N6O/c23-12-7-13(24)9-14(8-12)32-16-3-1-2-5-34(21(16)35)17-10-33(6-4-15(17)22(26,27)28)20-18(25)19(29)30-11-31-20/h1-2,7-9,11,15-17,32H,3-6,10H2,(H2,29,30,31)/t15-,16-,17-/m1/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348629 (US10577374, Compound 352 | US9790229, Compound 352) Show SMILES Fc1cc(Cl)cc(NC2CCCN([C@H]3CN(CC[C@@H]3C(F)(F)F)c3ncnc4[nH]ccc34)C2=O)c1 |r| 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348630 (US10577374, Compound 353 | US9790229, Compound 353) Show SMILES Nc1ncnc(N2CC[C@@H]([C@H](C2)N2CC[C@@H](Nc3cc(Cl)cc(Cl)c3)C2=O)C(F)(F)F)c1F |r| Show InChI InChI=1S/C20H20Cl2F4N6O/c21-10-5-11(22)7-12(6-10)30-14-2-4-32(19(14)33)15-8-31(3-1-13(15)20(24,25)26)18-16(23)17(27)28-9-29-18/h5-7,9,13-15,30H,1-4,8H2,(H2,27,28,29)/t13-,14+,15-/m0/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348632 (US10577374, Compound 355 | US9790229, Compound 355) Show SMILES FC(F)(F)[C@H]1CCN(C[C@@H]1N1CC[C@@H](Nc2cc(Cl)cc(Cl)c2)C1=O)c1ncnc2[nH]ncc12 |r| 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348634 (US10577374, Compound 357 | US9790229, Compound 357) Show SMILES Clc1cc(Cl)cc(N[C@H]2CCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1 |r| 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348384 (US10577374, Compound 107 | US9790229, Compound 107) Show SMILES O=C(Nc1csc(n1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348386 (US10577374, Compound 109 | US9790229, Compound 109) Show SMILES Nc1ncnc(N2CCCC(C2)c2nc(NC(=O)Nc3ccccc3N3CCCC3)cs2)c1C#N Show InChI InChI=1S/C24H27N9OS/c25-12-17-21(26)27-15-28-22(17)33-11-5-6-16(13-33)23-30-20(14-35-23)31-24(34)29-18-7-1-2-8-19(18)32-9-3-4-10-32/h1-2,7-8,14-16H,3-6,9-11,13H2,(H2,26,27,28)(H2,29,31,34)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348387 (US10577374, Compound 110 | US9790229, Compound 110) Show SMILES O=C(Nc1csc(n1)C1CCCN(C1)c1ncnc2[nH]ncc12)Nc1ccccc1N1CCCC1 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348388 (US10577374, Compound 111 | US9790229, Compound 111) Show SMILES Fc1cc(F)c(NC(=O)Nc2csc(n2)C2CCCN(C2)c2ncnc3[nH]ccc23)c(c1)N1CCCC1 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348389 (US10577374, Compound 112 | US9790229, Compound 112) Show SMILES Fc1cc(F)c(NC(=O)Nc2csc(n2)C2CCCN(C2)c2ncnc3[nH]ncc23)c(c1)N1CCCC1 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348390 (US10577374, Compound 113 | US9790229, Compound 113) Show SMILES Nc1ncnc(N2CCCC(C2)c2nc(NC(=O)Nc3c(F)cc(F)cc3N3CCCC3)cs2)c1C#N Show InChI InChI=1S/C24H25F2N9OS/c25-15-8-17(26)20(18(9-15)34-5-1-2-6-34)33-24(36)32-19-12-37-23(31-19)14-4-3-7-35(11-14)22-16(10-27)21(28)29-13-30-22/h8-9,12-14H,1-7,11H2,(H2,28,29,30)(H2,32,33,36)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348412 (US10577374, Compound 135 | US9790229, Compound 135) Show SMILES OCCN1CCN(CC1c1cccc(NC(=O)Nc2c(F)cccc2N2CCCC2)c1)c1ncnc2[nH]ccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348423 (US10577374, Compound 146 | US9790229, Compound 146) Show SMILES Fc1cccc(N2CCCC2)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348424 (US10577374, Compound 147 | US9790229, Compound 147) Show SMILES Fc1ccc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)c(c1)N1CCCC1 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348425 (US10577374, Compound 148 | US9790229, Compound 148) Show SMILES O[C@H]1CN(C[C@H]1O)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r| 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348426 (US10577374, Compound 149 | US9790229, Compound 149) Show SMILES O[C@@H]1CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r| 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348427 (US10577374, Compound 150 | US9790229, Compound 150) Show SMILES O[C@H]1CN(C[C@@H]1O)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r| 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348428 (US10577374, Compound 151 | US9790229, Compound 151) Show SMILES CC(C)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348429 (US10577374, Compound 152 | US9790229, Compound 152) Show SMILES OC[C@@H]1CCCN1c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r| 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348430 (US10577374, Compound 153 | US9790229, Compound 153) Show SMILES Clc1cccc(Cl)c1NC(=O)Nc1cccc(c1)[C@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r| 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348431 (US10577374, Compound 154 | US9790229, Compound 154) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348432 (US10577374, Compound 155 | US9790229, Compound 155) Show SMILES O[C@H]1CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r| 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348433 (US10577374, Compound 156 | US9790229, Compound 156) Show SMILES CC(C)(C)c1ccccc1NC(=O)Nc1cccc(c1)[C@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r| 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348434 (US10577374, Compound 157 | US9790229, Compound 157) Show SMILES CO[C@H]1CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r| 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348329 (US10577374, Compound 52 | US9790229, Compound 52) Show SMILES C[C@@H]1CCCN1c1cccc(F)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r| 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348314 (US10577374, Compound 37 | US9790229, Compound 37) Show SMILES O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348323 (US10577374, Compound 46 | US9790229, Compound 46) Show SMILES O=C(Nc1cccc(c1)[C@H]1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1 |r| 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM434888 (US10577374, Compound 49) Show SMILES Nc1c(F)cc(F)cc1N1CCCC1.O=CNc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348327 (US10577374, Compound 50 | US9790229, Compound 50) Show SMILES Clc1cccc(N2CCCC2)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348329 (US10577374, Compound 52 | US9790229, Compound 52) Show SMILES C[C@@H]1CCCN1c1cccc(F)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r| 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348384 (US10577374, Compound 107 | US9790229, Compound 107) Show SMILES O=C(Nc1csc(n1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348386 (US10577374, Compound 109 | US9790229, Compound 109) Show SMILES Nc1ncnc(N2CCCC(C2)c2nc(NC(=O)Nc3ccccc3N3CCCC3)cs2)c1C#N Show InChI InChI=1S/C24H27N9OS/c25-12-17-21(26)27-15-28-22(17)33-11-5-6-16(13-33)23-30-20(14-35-23)31-24(34)29-18-7-1-2-8-19(18)32-9-3-4-10-32/h1-2,7-8,14-16H,3-6,9-11,13H2,(H2,26,27,28)(H2,29,31,34)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348387 (US10577374, Compound 110 | US9790229, Compound 110) Show SMILES O=C(Nc1csc(n1)C1CCCN(C1)c1ncnc2[nH]ncc12)Nc1ccccc1N1CCCC1 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348388 (US10577374, Compound 111 | US9790229, Compound 111) Show SMILES Fc1cc(F)c(NC(=O)Nc2csc(n2)C2CCCN(C2)c2ncnc3[nH]ccc23)c(c1)N1CCCC1 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348389 (US10577374, Compound 112 | US9790229, Compound 112) Show SMILES Fc1cc(F)c(NC(=O)Nc2csc(n2)C2CCCN(C2)c2ncnc3[nH]ncc23)c(c1)N1CCCC1 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348390 (US10577374, Compound 113 | US9790229, Compound 113) Show SMILES Nc1ncnc(N2CCCC(C2)c2nc(NC(=O)Nc3c(F)cc(F)cc3N3CCCC3)cs2)c1C#N Show InChI InChI=1S/C24H25F2N9OS/c25-15-8-17(26)20(18(9-15)34-5-1-2-6-34)33-24(36)32-19-12-37-23(31-19)14-4-3-7-35(11-14)22-16(10-27)21(28)29-13-30-22/h8-9,12-14H,1-7,11H2,(H2,28,29,30)(H2,32,33,36)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348412 (US10577374, Compound 135 | US9790229, Compound 135) Show SMILES OCCN1CCN(CC1c1cccc(NC(=O)Nc2c(F)cccc2N2CCCC2)c1)c1ncnc2[nH]ccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348423 (US10577374, Compound 146 | US9790229, Compound 146) Show SMILES Fc1cccc(N2CCCC2)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348424 (US10577374, Compound 147 | US9790229, Compound 147) Show SMILES Fc1ccc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)c(c1)N1CCCC1 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348425 (US10577374, Compound 148 | US9790229, Compound 148) Show SMILES O[C@H]1CN(C[C@H]1O)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12 |r| 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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair

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