Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50007811   

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))	BDBM50512828 (CHEMBL4461112) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)NCc3cccnc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C28H26FN7O2S2/c1-2-25(37)33-21-6-3-7-22(15-21)34-26-24(29)18-31-27(36-26)35-20-8-10-23(11-9-20)38-13-14-40-28(39)32-17-19-5-4-12-30-16-19/h2-12,15-16,18H,1,13-14,17H2,(H,32,39)(H,33,37)(H2,31,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512817 (CHEMBL4476232) Show SMILES CN(C)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C24H25FN6O2S2/c1-4-21(32)27-17-6-5-7-18(14-17)28-22-20(25)15-26-23(30-22)29-16-8-10-19(11-9-16)33-12-13-35-24(34)31(2)3/h4-11,14-15H,1,12-13H2,2-3H3,(H,27,32)(H2,26,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					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	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512851 (CHEMBL4437107) Show SMILES Fc1cnc(Nc2ccc(OCCCSC(=S)NCc3cccnc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C29H28FN7O2S2/c1-2-26(38)34-22-7-3-8-23(16-22)35-27-25(30)19-32-28(37-27)36-21-9-11-24(12-10-21)39-14-5-15-41-29(40)33-18-20-6-4-13-31-17-20/h2-4,6-13,16-17,19H,1,5,14-15,18H2,(H,33,40)(H,34,38)(H2,32,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512850 (CHEMBL4470534) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)NC3CC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C25H25FN6O2S2/c1-2-22(33)28-18-4-3-5-19(14-18)29-23-21(26)15-27-24(32-23)30-16-8-10-20(11-9-16)34-12-13-36-25(35)31-17-6-7-17/h2-5,8-11,14-15,17H,1,6-7,12-13H2,(H,28,33)(H,31,35)(H2,27,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
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	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512846 (CHEMBL4434879) Show SMILES COc1ccc(CNC(=S)SCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)cc1 Show InChI InChI=1S/C30H29FN6O3S2/c1-3-27(38)34-22-5-4-6-23(17-22)35-28-26(31)19-32-29(37-28)36-21-9-13-25(14-10-21)40-15-16-42-30(41)33-18-20-7-11-24(39-2)12-8-20/h3-14,17,19H,1,15-16,18H2,2H3,(H,33,41)(H,34,38)(H2,32,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512826 (CHEMBL4583844) Show SMILES Fc1cccc(CNC(=S)SCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)c1 Show InChI InChI=1S/C29H26F2N6O2S2/c1-2-26(38)34-22-7-4-8-23(16-22)35-27-25(31)18-32-28(37-27)36-21-9-11-24(12-10-21)39-13-14-41-29(40)33-17-19-5-3-6-20(30)15-19/h2-12,15-16,18H,1,13-14,17H2,(H,33,40)(H,34,38)(H2,32,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512838 (CHEMBL4464989) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)NCc3ccncc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C28H26FN7O2S2/c1-2-25(37)33-21-4-3-5-22(16-21)34-26-24(29)18-31-27(36-26)35-20-6-8-23(9-7-20)38-14-15-40-28(39)32-17-19-10-12-30-13-11-19/h2-13,16,18H,1,14-15,17H2,(H,32,39)(H,33,37)(H2,31,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512835 (CHEMBL4473373) Show SMILES CNC(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C23H23FN6O2S2/c1-3-20(31)27-16-5-4-6-17(13-16)28-21-19(24)14-26-22(30-21)29-15-7-9-18(10-8-15)32-11-12-34-23(33)25-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,33)(H,27,31)(H2,26,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512814 (CHEMBL4466032) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)NCc3cnccn3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C27H25FN8O2S2/c1-2-24(37)33-19-4-3-5-20(14-19)34-25-23(28)17-31-26(36-25)35-18-6-8-22(9-7-18)38-12-13-40-27(39)32-16-21-15-29-10-11-30-21/h2-11,14-15,17H,1,12-13,16H2,(H,32,39)(H,33,37)(H2,31,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512840 (CHEMBL4590126) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)NCc3ccc(cc3)C#N)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C30H26FN7O2S2/c1-2-27(39)35-23-4-3-5-24(16-23)36-28-26(31)19-33-29(38-28)37-22-10-12-25(13-11-22)40-14-15-42-30(41)34-18-21-8-6-20(17-32)7-9-21/h2-13,16,19H,1,14-15,18H2,(H,34,41)(H,35,39)(H2,33,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512837 (CHEMBL4521840) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)NCc3ccccc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C29H27FN6O2S2/c1-2-26(37)33-22-9-6-10-23(17-22)34-27-25(30)19-31-28(36-27)35-21-11-13-24(14-12-21)38-15-16-40-29(39)32-18-20-7-4-3-5-8-20/h2-14,17,19H,1,15-16,18H2,(H,32,39)(H,33,37)(H2,31,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512831 (CHEMBL4517522) Show SMILES CN(C)C(=S)SCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C25H27FN6O2S2/c1-4-22(33)28-18-7-5-8-19(15-18)29-23-21(26)16-27-24(31-23)30-17-9-11-20(12-10-17)34-13-6-14-36-25(35)32(2)3/h4-5,7-12,15-16H,1,6,13-14H2,2-3H3,(H,28,33)(H2,27,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512842 (CHEMBL4455814) Show SMILES CCNC(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C24H25FN6O2S2/c1-3-21(32)28-17-6-5-7-18(14-17)29-22-20(25)15-27-23(31-22)30-16-8-10-19(11-9-16)33-12-13-35-24(34)26-4-2/h3,5-11,14-15H,1,4,12-13H2,2H3,(H,26,34)(H,28,32)(H2,27,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512833 (CHEMBL4449266) Show SMILES Fc1cnc(Nc2ccc(OCCCCSC(=S)NCc3cccnc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C30H30FN7O2S2/c1-2-27(39)35-23-8-5-9-24(17-23)36-28-26(31)20-33-29(38-28)37-22-10-12-25(13-11-22)40-15-3-4-16-42-30(41)34-19-21-7-6-14-32-18-21/h2,5-14,17-18,20H,1,3-4,15-16,19H2,(H,34,41)(H,35,39)(H2,33,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512811 (CHEMBL4459604) Show SMILES Fc1cnc(Nc2ccc(NC(=O)CSC(=S)NCc3cccnc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C28H25FN8O2S2/c1-2-24(38)34-21-6-3-7-22(13-21)35-26-23(29)16-31-27(37-26)36-20-10-8-19(9-11-20)33-25(39)17-41-28(40)32-15-18-5-4-12-30-14-18/h2-14,16H,1,15,17H2,(H,32,40)(H,33,39)(H,34,38)(H2,31,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512829 (CHEMBL4435537) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)NCc3ccccn3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C28H26FN7O2S2/c1-2-25(37)33-20-7-5-8-21(16-20)34-26-24(29)18-31-27(36-26)35-19-9-11-23(12-10-19)38-14-15-40-28(39)32-17-22-6-3-4-13-30-22/h2-13,16,18H,1,14-15,17H2,(H,32,39)(H,33,37)(H2,31,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512843 (CHEMBL4548939) Show SMILES CCN(CC)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C26H29FN6O2S2/c1-4-23(34)29-19-8-7-9-20(16-19)30-24-22(27)17-28-25(32-24)31-18-10-12-21(13-11-18)35-14-15-37-26(36)33(5-2)6-3/h4,7-13,16-17H,1,5-6,14-15H2,2-3H3,(H,29,34)(H2,28,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512834 (CHEMBL4435828) Show SMILES Fc1cnc(Nc2ccc(NC(=O)CCSC(=S)NCc3cccnc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C29H27FN8O2S2/c1-2-25(39)35-22-6-3-7-23(15-22)36-27-24(30)18-32-28(38-27)37-21-10-8-20(9-11-21)34-26(40)12-14-42-29(41)33-17-19-5-4-13-31-16-19/h2-11,13,15-16,18H,1,12,14,17H2,(H,33,41)(H,34,40)(H,35,39)(H2,32,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512821 (CHEMBL4468913) Show SMILES CC1CN(CC(C)O1)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C28H31FN6O3S2/c1-4-25(36)31-21-6-5-7-22(14-21)32-26-24(29)15-30-27(34-26)33-20-8-10-23(11-9-20)37-12-13-40-28(39)35-16-18(2)38-19(3)17-35/h4-11,14-15,18-19H,1,12-13,16-17H2,2-3H3,(H,31,36)(H2,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512820 (CHEMBL4462242) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)N3CCOCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C26H27FN6O3S2/c1-2-23(34)29-19-4-3-5-20(16-19)30-24-22(27)17-28-25(32-24)31-18-6-8-21(9-7-18)36-14-15-38-26(37)33-10-12-35-13-11-33/h2-9,16-17H,1,10-15H2,(H,29,34)(H2,28,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512830 (CHEMBL4435060) Show SMILES CN(Cc1cccnc1)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C29H28FN7O2S2/c1-3-26(38)33-22-7-4-8-23(16-22)34-27-25(30)18-32-28(36-27)35-21-9-11-24(12-10-21)39-14-15-41-29(40)37(2)19-20-6-5-13-31-17-20/h3-13,16-18H,1,14-15,19H2,2H3,(H,33,38)(H2,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512832 (CHEMBL4443136) Show SMILES CN(C)C(=S)SCCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C26H29FN6O2S2/c1-4-23(34)29-19-8-7-9-20(16-19)30-24-22(27)17-28-25(32-24)31-18-10-12-21(13-11-18)35-14-5-6-15-37-26(36)33(2)3/h4,7-13,16-17H,1,5-6,14-15H2,2-3H3,(H,29,34)(H2,28,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512822 (CHEMBL4439745) Show SMILES CN1CCN(CC1)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C27H30FN7O2S2/c1-3-24(36)30-20-5-4-6-21(17-20)31-25-23(28)18-29-26(33-25)32-19-7-9-22(10-8-19)37-15-16-39-27(38)35-13-11-34(2)12-14-35/h3-10,17-18H,1,11-16H2,2H3,(H,30,36)(H2,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512827 (CHEMBL4551071) Show SMILES COc1cc(CNC(=S)SCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)cc(OC)c1OC Show InChI InChI=1S/C32H33FN6O5S2/c1-5-28(40)36-22-7-6-8-23(17-22)37-30-25(33)19-34-31(39-30)38-21-9-11-24(12-10-21)44-13-14-46-32(45)35-18-20-15-26(41-2)29(43-4)27(16-20)42-3/h5-12,15-17,19H,1,13-14,18H2,2-4H3,(H,35,45)(H,36,40)(H2,34,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512836 (CHEMBL4438747) Show SMILES CC(C)N1CCN(CC1)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C29H34FN7O2S2/c1-4-26(38)32-22-6-5-7-23(18-22)33-27-25(30)19-31-28(35-27)34-21-8-10-24(11-9-21)39-16-17-41-29(40)37-14-12-36(13-15-37)20(2)3/h4-11,18-20H,1,12-17H2,2-3H3,(H,32,38)(H2,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512848 (CHEMBL4437246) Show SMILES CC(C)N1CCN(CC1)C(=S)SCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C30H36FN7O2S2/c1-4-27(39)33-23-7-5-8-24(19-23)34-28-26(31)20-32-29(36-28)35-22-9-11-25(12-10-22)40-17-6-18-42-30(41)38-15-13-37(14-16-38)21(2)3/h4-5,7-12,19-21H,1,6,13-18H2,2-3H3,(H,33,39)(H2,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512845 (CHEMBL4445733) Show SMILES OCCN1CCN(CC1)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C28H32FN7O3S2/c1-2-25(38)31-21-4-3-5-22(18-21)32-26-24(29)19-30-27(34-26)33-20-6-8-23(9-7-20)39-16-17-41-28(40)36-12-10-35(11-13-36)14-15-37/h2-9,18-19,37H,1,10-17H2,(H,31,38)(H2,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512823 (CHEMBL4453432) Show SMILES CC(=O)N1CCN(CC1)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C28H30FN7O3S2/c1-3-25(38)31-21-5-4-6-22(17-21)32-26-24(29)18-30-27(34-26)33-20-7-9-23(10-8-20)39-15-16-41-28(40)36-13-11-35(12-14-36)19(2)37/h3-10,17-18H,1,11-16H2,2H3,(H,31,38)(H2,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512844 (CHEMBL4537525) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)N3CCCCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C27H29FN6O2S2/c1-2-24(35)30-20-7-6-8-21(17-20)31-25-23(28)18-29-26(33-25)32-19-9-11-22(12-10-19)36-15-16-38-27(37)34-13-4-3-5-14-34/h2,6-12,17-18H,1,3-5,13-16H2,(H,30,35)(H2,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512816 (CHEMBL4540071) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)NCC=C)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C25H25FN6O2S2/c1-3-12-27-25(35)36-14-13-34-20-10-8-17(9-11-20)31-24-28-16-21(26)23(32-24)30-19-7-5-6-18(15-19)29-22(33)4-2/h3-11,15-16H,1-2,12-14H2,(H,27,35)(H,29,33)(H2,28,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512815 (CHEMBL4473486) Show SMILES CC(C)NC(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C25H27FN6O2S2/c1-4-22(33)29-18-6-5-7-19(14-18)30-23-21(26)15-27-24(32-23)31-17-8-10-20(11-9-17)34-12-13-36-25(35)28-16(2)3/h4-11,14-16H,1,12-13H2,2-3H3,(H,28,35)(H,29,33)(H2,27,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512839 (CHEMBL4460184) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)NC3CCCCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C28H31FN6O2S2/c1-2-25(36)31-21-9-6-10-22(17-21)32-26-24(29)18-30-27(35-26)33-20-11-13-23(14-12-20)37-15-16-39-28(38)34-19-7-4-3-5-8-19/h2,6,9-14,17-19H,1,3-5,7-8,15-16H2,(H,31,36)(H,34,38)(H2,30,32,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512819 (CHEMBL4454876) Show SMILES CCCCN(CCCC)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C30H37FN6O2S2/c1-4-7-16-37(17-8-5-2)30(40)41-19-18-39-25-14-12-22(13-15-25)35-29-32-21-26(31)28(36-29)34-24-11-9-10-23(20-24)33-27(38)6-3/h6,9-15,20-21H,3-5,7-8,16-19H2,1-2H3,(H,33,38)(H2,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512841 (CHEMBL4447148) Show SMILES CC(C)N1CCN(CC1)C(=S)SCCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C31H38FN7O2S2/c1-4-28(40)34-24-8-7-9-25(20-24)35-29-27(32)21-33-30(37-29)36-23-10-12-26(13-11-23)41-18-5-6-19-43-31(42)39-16-14-38(15-17-39)22(2)3/h4,7-13,20-22H,1,5-6,14-19H2,2-3H3,(H,34,40)(H2,33,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512812 (CHEMBL4443744) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)N3CCCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C26H27FN6O2S2/c1-2-23(34)29-19-6-5-7-20(16-19)30-24-22(27)17-28-25(32-24)31-18-8-10-21(11-9-18)35-14-15-37-26(36)33-12-3-4-13-33/h2,5-11,16-17H,1,3-4,12-15H2,(H,29,34)(H2,28,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512818 (CHEMBL4476311) Show SMILES CCCN(CCC)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C28H33FN6O2S2/c1-4-14-35(15-5-2)28(38)39-17-16-37-23-12-10-20(11-13-23)33-27-30-19-24(29)26(34-27)32-22-9-7-8-21(18-22)31-25(36)6-3/h6-13,18-19H,3-5,14-17H2,1-2H3,(H,31,36)(H2,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512824 (CHEMBL4434679) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C31H36FN7O4S2/c1-5-26(40)34-22-7-6-8-23(19-22)35-27-25(32)20-33-28(37-27)36-21-9-11-24(12-10-21)42-17-18-45-30(44)39-15-13-38(14-16-39)29(41)43-31(2,3)4/h5-12,19-20H,1,13-18H2,2-4H3,(H,34,40)(H2,33,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512813 (CHEMBL4576295) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)N3CCN(Cc4ccccc4)CC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C33H34FN7O2S2/c1-2-30(42)36-26-9-6-10-27(21-26)37-31-29(34)22-35-32(39-31)38-25-11-13-28(14-12-25)43-19-20-45-33(44)41-17-15-40(16-18-41)23-24-7-4-3-5-8-24/h2-14,21-22H,1,15-20,23H2,(H,36,42)(H2,35,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512825 (CHEMBL4575729) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)N3CCN(CC3)c3ccccc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C32H32FN7O2S2/c1-2-29(41)35-24-7-6-8-25(21-24)36-30-28(33)22-34-31(38-30)37-23-11-13-27(14-12-23)42-19-20-44-32(43)40-17-15-39(16-18-40)26-9-4-3-5-10-26/h2-14,21-22H,1,15-20H2,(H,35,41)(H2,34,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512849 (CHEMBL4591477) Show SMILES CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCSC(=S)NCc4cccnc4)cc3)ncc2F)c1 Show InChI InChI=1S/C28H28FN7O2S2/c1-2-25(37)33-21-6-3-7-22(15-21)34-26-24(29)18-31-27(36-26)35-20-8-10-23(11-9-20)38-13-14-40-28(39)32-17-19-5-4-12-30-16-19/h3-12,15-16,18H,2,13-14,17H2,1H3,(H,32,39)(H,33,37)(H2,31,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512847 (CHEMBL4449314) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)N3CCc4ccccc4C3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C31H29FN6O2S2/c1-2-28(39)34-24-8-5-9-25(18-24)35-29-27(32)19-33-30(37-29)36-23-10-12-26(13-11-23)40-16-17-42-31(41)38-15-14-21-6-3-4-7-22(21)20-38/h2-13,18-19H,1,14-17,20H2,(H,34,39)(H2,33,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043 BindingDB Entry DOI: 10.7270/Q2DZ0CN2
					More data for this Ligand-Target Pair