Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50049056   

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))	BDBM50233655 (CHEMBL4101864) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:38| Show InChI InChI=1S/C31H27FN4O2/c32-26-15-21(18-4-5-18)14-20-9-13-36(31(38)29(20)26)28-3-1-2-22(25(28)17-37)23-8-12-34-30-24(23)16-27(35-30)19-6-10-33-11-7-19/h1-3,6,8-9,12-16,18,33,37H,4-5,7,10-11,17H2,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233644 (CHEMBL4079989) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1 |t:38| Show InChI InChI=1S/C34H31FN4O3/c35-29-15-23(20-4-5-20)14-22-9-13-39(34(41)32(22)29)31-3-1-2-25(28(31)17-40)26-6-10-36-33-27(26)16-30(37-33)21-7-11-38(12-8-21)24-18-42-19-24/h1-3,6-7,9-10,13-16,20,24,40H,4-5,8,11-12,17-19H2,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233653 (CHEMBL4095573) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C34H32FN5O3/c1-38(2)34(43)39-13-9-21(10-14-39)29-18-26-25(8-12-36-32(26)37-29)24-4-3-5-30(27(24)19-41)40-15-11-22-16-23(20-6-7-20)17-28(35)31(22)33(40)42/h3-5,8-9,11-12,15-18,20,41H,6-7,10,13-14,19H2,1-2H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233654 (CHEMBL4087347) Show SMILES CC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:6| Show InChI InChI=1S/C33H29FN4O3/c1-19(40)37-12-8-21(9-13-37)29-17-26-25(7-11-35-32(26)36-29)24-3-2-4-30(27(24)18-39)38-14-10-22-15-23(20-5-6-20)16-28(34)31(22)33(38)41/h2-4,7-8,10-11,14-17,20,39H,5-6,9,12-13,18H2,1H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50063962 (CHEMBL3402584) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C33H31FN6O3/c1-38(2)33(43)39-11-8-20(9-12-39)27-16-24-30(35-18-36-31(24)37-27)23-4-3-5-28(25(23)17-41)40-13-10-21-14-22(19-6-7-19)15-26(34)29(21)32(40)42/h3-5,8,10,13-16,18-19,41H,6-7,9,11-12,17H2,1-2H3,(H,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233665 (CHEMBL4103325) Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:7| Show InChI InChI=1S/C32H29FN4O4S/c1-42(40,41)36-12-8-20(9-13-36)28-17-25-24(7-11-34-31(25)35-28)23-3-2-4-29(26(23)18-38)37-14-10-21-15-22(19-5-6-19)16-27(33)30(21)32(37)39/h2-4,7-8,10-11,14-17,19,38H,5-6,9,12-13,18H2,1H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233652 (CHEMBL4075160) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCOCC1 |t:38| Show InChI InChI=1S/C36H34FN5O4/c37-30-19-25(22-4-5-22)18-24-9-13-42(35(44)33(24)30)32-3-1-2-26(29(32)21-43)27-6-10-38-34-28(27)20-31(39-34)23-7-11-40(12-8-23)36(45)41-14-16-46-17-15-41/h1-3,6-7,9-10,13,18-20,22,43H,4-5,8,11-12,14-17,21H2,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233656 (CHEMBL4083867) Show SMILES Cn1ccc(n1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C30H24FN5O2/c1-35-11-9-25(34-35)26-15-22-21(7-10-32-29(22)33-26)20-3-2-4-27(23(20)16-37)36-12-8-18-13-19(17-5-6-17)14-24(31)28(18)30(36)38/h2-4,7-15,17,37H,5-6,16H2,1H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233651 (CHEMBL4085393) Show SMILES CN(C)S(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:9| Show InChI InChI=1S/C33H32FN5O4S/c1-37(2)44(42,43)38-13-9-21(10-14-38)29-18-26-25(8-12-35-32(26)36-29)24-4-3-5-30(27(24)19-40)39-15-11-22-16-23(20-6-7-20)17-28(34)31(22)33(39)41/h3-5,8-9,11-12,15-18,20,40H,6-7,10,13-14,19H2,1-2H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233664 (CHEMBL4105206) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)C1CC1 |t:38| Show InChI InChI=1S/C35H31FN4O3/c36-29-17-24(20-4-5-20)16-23-11-15-40(35(43)32(23)29)31-3-1-2-25(28(31)19-41)26-8-12-37-33-27(26)18-30(38-33)21-9-13-39(14-10-21)34(42)22-6-7-22/h1-3,8-9,11-12,15-18,20,22,41H,4-7,10,13-14,19H2,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233654 (CHEMBL4087347) Show SMILES CC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:6| Show InChI InChI=1S/C33H29FN4O3/c1-19(40)37-12-8-21(9-13-37)29-17-26-25(7-11-35-32(26)36-29)24-3-2-4-30(27(24)18-39)38-14-10-22-15-23(20-5-6-20)16-28(34)31(22)33(38)41/h2-4,7-8,10-11,14-17,20,39H,5-6,9,12-13,18H2,1H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233661 (CHEMBL4094133) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C35H29FN4O3/c1-39(2)34(42)22-10-8-21(9-11-22)30-18-27-26(12-14-37-33(27)38-30)25-4-3-5-31(28(25)19-41)40-15-13-23-16-24(20-6-7-20)17-29(36)32(23)35(40)43/h3-5,8-18,20,41H,6-7,19H2,1-2H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1 Show InChI InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38)	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	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233653 (CHEMBL4095573) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C34H32FN5O3/c1-38(2)34(43)39-13-9-21(10-14-39)29-18-26-25(8-12-36-32(26)37-29)24-4-3-5-30(27(24)19-41)40-15-11-22-16-23(20-6-7-20)17-28(35)31(22)33(40)42/h3-5,8-9,11-12,15-18,20,41H,6-7,10,13-14,19H2,1-2H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233664 (CHEMBL4105206) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)C1CC1 |t:38| Show InChI InChI=1S/C35H31FN4O3/c36-29-17-24(20-4-5-20)16-23-11-15-40(35(43)32(23)29)31-3-1-2-25(28(31)19-41)26-8-12-37-33-27(26)18-30(38-33)21-9-13-39(14-10-21)34(42)22-6-7-22/h1-3,8-9,11-12,15-18,20,22,41H,4-7,10,13-14,19H2,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233659 (CHEMBL4086354) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C37H33FN4O3/c38-32-19-27(24-8-9-24)18-26-11-13-42(37(44)35(26)32)34-3-1-2-28(31(34)22-43)29-10-12-39-36-30(29)20-33(40-36)25-6-4-23(5-7-25)21-41-14-16-45-17-15-41/h1-7,10-13,18-20,24,43H,8-9,14-17,21-22H2,(H,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233647 (CHEMBL4073491) Show SMILES CC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C34H26FN3O3/c1-19(40)20-5-9-22(10-6-20)30-17-27-26(11-13-36-33(27)37-30)25-3-2-4-31(28(25)18-39)38-14-12-23-15-24(21-7-8-21)16-29(35)32(23)34(38)41/h2-6,9-17,21,39H,7-8,18H2,1H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233656 (CHEMBL4083867) Show SMILES Cn1ccc(n1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C30H24FN5O2/c1-35-11-9-25(34-35)26-15-22-21(7-10-32-29(22)33-26)20-3-2-4-27(23(20)16-37)36-12-8-18-13-19(17-5-6-17)14-24(31)28(18)30(36)38/h2-4,7-15,17,37H,5-6,16H2,1H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50063962 (CHEMBL3402584) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C33H31FN6O3/c1-38(2)33(43)39-11-8-20(9-12-39)27-16-24-30(35-18-36-31(24)37-27)23-4-3-5-28(25(23)17-41)40-13-10-21-14-22(19-6-7-19)15-26(34)29(21)32(40)42/h3-5,8,10,13-16,18-19,41H,6-7,9,11-12,17H2,1-2H3,(H,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1 Show InChI InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38)	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	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233651 (CHEMBL4085393) Show SMILES CN(C)S(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:9| Show InChI InChI=1S/C33H32FN5O4S/c1-37(2)44(42,43)38-13-9-21(10-14-38)29-18-26-25(8-12-35-32(26)36-29)24-4-3-5-30(27(24)19-40)39-15-11-22-16-23(20-6-7-20)17-28(34)31(22)33(39)41/h3-5,8-9,11-12,15-18,20,40H,6-7,10,13-14,19H2,1-2H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233648 (CHEMBL4093393) Show SMILES COc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C33H26FN3O3/c1-40-23-9-7-20(8-10-23)29-17-26-25(11-13-35-32(26)36-29)24-3-2-4-30(27(24)18-38)37-14-12-21-15-22(19-5-6-19)16-28(34)31(21)33(37)39/h2-4,7-17,19,38H,5-6,18H2,1H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233655 (CHEMBL4101864) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:38| Show InChI InChI=1S/C31H27FN4O2/c32-26-15-21(18-4-5-18)14-20-9-13-36(31(38)29(20)26)28-3-1-2-22(25(28)17-37)23-8-12-34-30-24(23)16-27(35-30)19-6-10-33-11-7-19/h1-3,6,8-9,12-16,18,33,37H,4-5,7,10-11,17H2,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233644 (CHEMBL4079989) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1 |t:38| Show InChI InChI=1S/C34H31FN4O3/c35-29-15-23(20-4-5-20)14-22-9-13-39(34(41)32(22)29)31-3-1-2-25(28(31)17-40)26-6-10-36-33-27(26)16-30(37-33)21-7-11-38(12-8-21)24-18-42-19-24/h1-3,6-7,9-10,13-16,20,24,40H,4-5,8,11-12,17-19H2,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233647 (CHEMBL4073491) Show SMILES CC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C34H26FN3O3/c1-19(40)20-5-9-22(10-6-20)30-17-27-26(11-13-36-33(27)37-30)25-3-2-4-31(28(25)18-39)38-14-12-23-15-24(21-7-8-21)16-29(35)32(23)34(38)41/h2-6,9-17,21,39H,7-8,18H2,1H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233645 (CHEMBL4097010) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C34H28FN5O3/c1-39(2)33(42)21-10-8-20(9-11-21)31-37-30-25(12-14-36-32(30)38-31)24-4-3-5-28(26(24)18-41)40-15-13-22-16-23(19-6-7-19)17-27(35)29(22)34(40)43/h3-5,8-17,19,41H,6-7,18H2,1-2H3,(H,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233660 (CHEMBL4064893) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCCCC1 Show InChI InChI=1S/C38H33FN4O3/c39-32-20-27(23-7-8-23)19-26-14-18-43(38(46)35(26)32)34-6-4-5-28(31(34)22-44)29-13-15-40-36-30(29)21-33(41-36)24-9-11-25(12-10-24)37(45)42-16-2-1-3-17-42/h4-6,9-15,18-21,23,44H,1-3,7-8,16-17,22H2,(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233649 (CHEMBL4081221) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(O)cc1 Show InChI InChI=1S/C32H24FN3O3/c33-27-15-21(18-4-5-18)14-20-11-13-36(32(39)30(20)27)29-3-1-2-23(26(29)17-37)24-10-12-34-31-25(24)16-28(35-31)19-6-8-22(38)9-7-19/h1-3,6-16,18,37-38H,4-5,17H2,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233652 (CHEMBL4075160) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCOCC1 |t:38| Show InChI InChI=1S/C36H34FN5O4/c37-30-19-25(22-4-5-22)18-24-9-13-42(35(44)33(24)30)32-3-1-2-26(29(32)21-43)27-6-10-38-34-28(27)20-31(39-34)23-7-11-40(12-8-23)36(45)41-14-16-46-17-15-41/h1-3,6-7,9-10,13,18-20,22,43H,4-5,8,11-12,14-17,21H2,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233660 (CHEMBL4064893) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCCCC1 Show InChI InChI=1S/C38H33FN4O3/c39-32-20-27(23-7-8-23)19-26-14-18-43(38(46)35(26)32)34-6-4-5-28(31(34)22-44)29-13-15-40-36-30(29)21-33(41-36)24-9-11-25(12-10-24)37(45)42-16-2-1-3-17-42/h4-6,9-15,18-21,23,44H,1-3,7-8,16-17,22H2,(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233648 (CHEMBL4093393) Show SMILES COc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C33H26FN3O3/c1-40-23-9-7-20(8-10-23)29-17-26-25(11-13-35-32(26)36-29)24-3-2-4-30(27(24)18-38)37-14-12-21-15-22(19-5-6-19)16-28(34)31(21)33(37)39/h2-4,7-17,19,38H,5-6,18H2,1H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233657 (CHEMBL4063859) Show SMILES COc1ccc(cn1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C32H25FN4O3/c1-40-29-8-7-20(16-35-29)27-15-24-23(9-11-34-31(24)36-27)22-3-2-4-28(25(22)17-38)37-12-10-19-13-21(18-5-6-18)14-26(33)30(19)32(37)39/h2-4,7-16,18,38H,5-6,17H2,1H3,(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233659 (CHEMBL4086354) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C37H33FN4O3/c38-32-19-27(24-8-9-24)18-26-11-13-42(37(44)35(26)32)34-3-1-2-28(31(34)22-43)29-10-12-39-36-30(29)20-33(40-36)25-6-4-23(5-7-25)21-41-14-16-45-17-15-41/h1-7,10-13,18-20,24,43H,8-9,14-17,21-22H2,(H,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233658 (CHEMBL4091642) Show SMILES CC(=O)c1cc(cs1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C32H24FN3O3S/c1-17(38)29-13-21(16-40-29)27-14-24-23(7-9-34-31(24)35-27)22-3-2-4-28(25(22)15-37)36-10-8-19-11-20(18-5-6-18)12-26(33)30(19)32(36)39/h2-4,7-14,16,18,37H,5-6,15H2,1H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233658 (CHEMBL4091642) Show SMILES CC(=O)c1cc(cs1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C32H24FN3O3S/c1-17(38)29-13-21(16-40-29)27-14-24-23(7-9-34-31(24)35-27)22-3-2-4-28(25(22)15-37)36-10-8-19-11-20(18-5-6-18)12-26(33)30(19)32(36)39/h2-4,7-14,16,18,37H,5-6,15H2,1H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233645 (CHEMBL4097010) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C34H28FN5O3/c1-39(2)33(42)21-10-8-20(9-11-21)31-37-30-25(12-14-36-32(30)38-31)24-4-3-5-28(26(24)18-41)40-15-13-22-16-23(19-6-7-19)17-27(35)29(22)34(40)43/h3-5,8-17,19,41H,6-7,18H2,1-2H3,(H,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233661 (CHEMBL4094133) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C35H29FN4O3/c1-39(2)34(42)22-10-8-21(9-11-22)30-18-27-26(12-14-37-33(27)38-30)25-4-3-5-31(28(25)19-41)40-15-13-23-16-24(20-6-7-20)17-29(36)32(23)35(40)43/h3-5,8-18,20,41H,6-7,19H2,1-2H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233662 (CHEMBL4065778) Show SMILES Nc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C32H25FN4O2/c33-27-15-21(18-7-8-18)13-20-10-12-37(32(39)30(20)27)29-6-2-5-23(26(29)17-38)24-9-11-35-31-25(24)16-28(36-31)19-3-1-4-22(34)14-19/h1-6,9-16,18,38H,7-8,17,34H2,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233649 (CHEMBL4081221) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(O)cc1 Show InChI InChI=1S/C32H24FN3O3/c33-27-15-21(18-4-5-18)14-20-11-13-36(32(39)30(20)27)29-3-1-2-23(26(29)17-37)24-10-12-34-31-25(24)16-28(35-31)19-6-8-22(38)9-7-19/h1-3,6-16,18,37-38H,4-5,17H2,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233657 (CHEMBL4063859) Show SMILES COc1ccc(cn1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C32H25FN4O3/c1-40-29-8-7-20(16-35-29)27-15-24-23(9-11-34-31(24)36-27)22-3-2-4-28(25(22)17-38)37-12-10-19-13-21(18-5-6-18)14-26(33)30(19)32(37)39/h2-4,7-16,18,38H,5-6,17H2,1H3,(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	196	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233663 (CHEMBL4105470) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C27H22FN3O2/c1-15-11-21-20(7-9-29-26(21)30-15)19-3-2-4-24(22(19)14-32)31-10-8-17-12-18(16-5-6-16)13-23(28)25(17)27(31)33/h2-4,7-13,16,32H,5-6,14H2,1H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233650 (CHEMBL4070603) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H20FN3O2/c27-22-13-17(15-4-5-15)12-16-8-11-30(26(32)24(16)22)23-3-1-2-18(21(23)14-31)19-6-9-28-25-20(19)7-10-29-25/h1-3,6-13,15,31H,4-5,14H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233663 (CHEMBL4105470) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C27H22FN3O2/c1-15-11-21-20(7-9-29-26(21)30-15)19-3-2-4-24(22(19)14-32)31-10-8-17-12-18(16-5-6-16)13-23(28)25(17)27(31)33/h2-4,7-13,16,32H,5-6,14H2,1H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	395	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233665 (CHEMBL4103325) Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:7| Show InChI InChI=1S/C32H29FN4O4S/c1-42(40,41)36-12-8-20(9-13-36)28-17-25-24(7-11-34-31(25)35-28)23-3-2-4-29(26(23)18-38)37-14-10-21-15-22(19-5-6-19)16-27(33)30(21)32(37)39/h2-4,7-8,10-11,14-17,19,38H,5-6,9,12-13,18H2,1H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233650 (CHEMBL4070603) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H20FN3O2/c27-22-13-17(15-4-5-15)12-16-8-11-30(26(32)24(16)22)23-3-1-2-18(21(23)14-31)19-6-9-28-25-20(19)7-10-29-25/h1-3,6-13,15,31H,4-5,14H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233662 (CHEMBL4065778) Show SMILES Nc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C32H25FN4O2/c33-27-15-21(18-7-8-18)13-20-10-12-37(32(39)30(20)27)29-6-2-5-23(26(29)17-38)24-9-11-35-31-25(24)16-28(36-31)19-3-1-4-22(34)14-19/h1-6,9-16,18,38H,7-8,17,34H2,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233646 (CHEMBL4087870) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(cccc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C35H33FN4O3/c1-38(2)35(43)39-14-11-22(12-15-39)31-19-27-25(5-3-7-30(27)37-31)26-6-4-8-32(28(26)20-41)40-16-13-23-17-24(21-9-10-21)18-29(36)33(23)34(40)42/h3-8,11,13,16-19,21,37,41H,9-10,12,14-15,20H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233646 (CHEMBL4087870) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(cccc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C35H33FN4O3/c1-38(2)35(43)39-14-11-22(12-15-39)31-19-27-25(5-3-7-30(27)37-31)26-6-4-8-32(28(26)20-41)40-16-13-23-17-24(21-9-10-21)18-29(36)33(23)34(40)42/h3-8,11,13,16-19,21,37,41H,9-10,12,14-15,20H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair