Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1998   

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))	BDBM350159 ((1S,3R)-3-[8-amino-1-(4- {(1R)-1-[3- (difluorometh...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)F |r| Show InChI InChI=1S/C30H32F2N4O3/c1-28(2)21(12-13-29(28,3)27(37)38)26-35-22(23-25(33)34-14-15-36(23)26)17-8-10-19(11-9-17)30(4,39)20-7-5-6-18(16-20)24(31)32/h5-11,14-16,21,24,39H,12-13H2,1-4H3,(H2,33,34)(H,37,38)/t21-,29+,30+/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	0.780	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350168 ((1R,3R,5S,6r)-3-[8-amino- 1-(4-{(1R)-1-hydroxy-1-[...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2C[C@H]3[C@@H](C2)[C@@H]3C(O)=O)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H25F3N4O3/c1-27(38,17-3-2-4-18(13-17)28(29,30)31)16-7-5-14(6-8-16)22-23-24(32)33-9-10-35(23)25(34-22)15-11-19-20(12-15)21(19)26(36)37/h2-10,13,15,19-21,38H,11-12H2,1H3,(H2,32,33)(H,36,37)/t15-,19-,20+,21+,27-/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350140 (4-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(C2)C(O)=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H27F3N4O3/c1-26(39,19-3-2-4-20(15-19)29(30,31)32)18-7-5-17(6-8-18)21-22-23(33)34-13-14-36(22)24(35-21)27-9-11-28(16-27,12-10-27)25(37)38/h2-8,13-15,39H,9-12,16H2,1H3,(H2,33,34)(H,37,38)/t26-,27?,28?/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350160 ((1S,3R)-3-[8-amino-1-(2- ethoxy-4-{(1S)-1-hydroxy-...) Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)[C@@](C)(O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C32H35F3N4O4/c1-6-43-23-17-19(31(5,42)18-8-7-9-20(16-18)32(33,34)35)10-11-21(23)24-25-26(36)37-14-15-39(25)27(38-24)22-12-13-30(4,28(40)41)29(22,2)3/h7-11,14-17,22,42H,6,12-13H2,1-5H3,(H2,36,37)(H,40,41)/t22-,30+,31-/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350166 ((1S,3R)-3-[8-amino-1-(4- {(1R)-1-[3- (difluorometh...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2c(F)cnc(N)c12)c1cccc(c1)C(F)F |r| Show InChI InChI=1S/C30H31F3N4O3/c1-28(2)20(12-13-29(28,3)27(38)39)26-36-22(23-25(34)35-15-21(31)37(23)26)16-8-10-18(11-9-16)30(4,40)19-7-5-6-17(14-19)24(32)33/h5-11,14-15,20,24,40H,12-13H2,1-4H3,(H2,34,35)(H,38,39)/t20-,29+,30+/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350161 ((1S,3R)-3-[8-amino-5- chloro-1-(4-{(1R)-1-[3- (dif...) Show SMILES CC(C)[C@@]1(CC[C@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)F)c2c(N)ncc(Cl)n12)C(O)=O |r| Show InChI InChI=1S/C30H31ClF2N4O3/c1-16(2)30(28(38)39)12-11-19(14-30)27-36-23(24-26(34)35-15-22(31)37(24)27)17-7-9-20(10-8-17)29(3,40)21-6-4-5-18(13-21)25(32)33/h4-10,13,15-16,19,25,40H,11-12,14H2,1-3H3,(H2,34,35)(H,38,39)/t19-,29-,30+/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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350151 (4-(8-amino-1-{2-ethoxy-4- [1-hydroxy-1-(3- methylp...) Show SMILES CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)C(C)(O)c1cccc(C)c1 Show InChI InChI=1S/C32H36N4O4/c1-4-40-24-19-22(30(3,39)21-7-5-6-20(2)18-21)8-9-23(24)25-26-27(33)34-16-17-36(26)28(35-25)31-10-13-32(14-11-31,15-12-31)29(37)38/h5-9,16-19,39H,4,10-15H2,1-3H3,(H2,33,34)(H,37,38)	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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350143 ((1S,3R)-3-[8-amino-1-(4- {(1R)-1-hydroxy-1-[3- (tr...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H31F3N4O3/c1-27(2)21(12-13-28(27,3)26(38)39)25-36-22(23-24(34)35-14-15-37(23)25)17-8-10-18(11-9-17)29(4,40)19-6-5-7-20(16-19)30(31,32)33/h5-11,14-16,21,40H,12-13H2,1-4H3,(H2,34,35)(H,38,39)/t21-,28+,29+/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350134 (4-[8-amino-1-(4-{(1S)-1- hydroxy-1-[3- (trifluorom...) Show SMILES C[C@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H29F3N4O3/c1-27(40,20-3-2-4-21(17-20)30(31,32)33)19-7-5-18(6-8-19)22-23-24(34)35-15-16-37(23)25(36-22)28-9-12-29(13-10-28,14-11-28)26(38)39/h2-8,15-17,40H,9-14H2,1H3,(H2,34,35)(H,38,39)/t27-,28?,29?/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	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350154 (5-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(C1CC21)C(O)=O)c1cccc(c1)C(F)(F)F |r,wU:1.0,wD:1.1,(2.18,6.06,;.64,6.06,;1.41,7.39,;.64,4.52,;1.97,3.75,;1.97,2.21,;.64,1.44,;-.69,2.21,;-.69,3.75,;.64,-.1,;1.89,-1.01,;1.41,-2.47,;-.13,-2.47,;-1.16,-3.62,;-2.67,-3.3,;-3.14,-1.83,;-2.11,-.69,;-2.51,.8,;-.61,-1.01,;2.18,-3.8,;3.72,-3.8,;4.49,-5.14,;3.72,-6.47,;3.72,-5.32,;3.14,-4.36,;2.18,-6.47,;.64,-6.47,;1.41,-5.14,;4.49,-7.81,;6.03,-7.81,;3.72,-9.14,;-.69,6.83,;-.69,8.37,;-2.03,9.14,;-3.36,8.37,;-3.36,6.83,;-2.03,6.06,;-4.7,6.06,;-6.03,6.83,;-4.7,4.52,;-6.03,5.29,)| Show InChI InChI=1S/C31H29F3N4O3/c1-28(41,19-3-2-4-20(15-19)31(32,33)34)18-7-5-17(6-8-18)23-24-25(35)36-13-14-38(24)26(37-23)29-9-11-30(12-10-29,27(39)40)22-16-21(22)29/h2-8,13-15,21-22,41H,9-12,16H2,1H3,(H2,35,36)(H,39,40)/t21?,22?,28-,29?,30?/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	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350156 ((1S,3R)-3-[8-amino-5- fluoro-1-(4-{(1R)-1- hydroxy...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2c(F)cnc(N)c12)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H30F4N4O3/c1-27(2)20(12-13-28(27,3)26(39)40)25-37-22(23-24(35)36-15-21(31)38(23)25)16-8-10-17(11-9-16)29(4,41)18-6-5-7-19(14-18)30(32,33)34/h5-11,14-15,20,41H,12-13H2,1-4H3,(H2,35,36)(H,39,40)/t20-,28+,29+/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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350141 (5-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CCC2)C(O)=O)c1cccc(c1)C(F)(F)F |r,wU:1.0,wD:1.1,(3.86,5.48,;2.38,5.88,;3.47,6.97,;1.98,4.4,;3.07,3.31,;2.67,1.82,;1.18,1.42,;.09,2.51,;.49,4,;.78,-.07,;1.69,-1.31,;.78,-2.56,;-.68,-2.08,;-2.02,-2.85,;-3.35,-2.08,;-3.35,-.54,;-2.02,.23,;-2.02,1.77,;-.68,-.54,;1.55,-3.89,;.22,-4.66,;.22,-6.2,;1.55,-6.97,;2.89,-6.2,;2.89,-4.66,;3.64,-6.41,;3.64,-5.16,;2.91,-3.89,;1.15,-8.46,;-.33,-8.86,;2.24,-9.55,;1.29,6.97,;1.69,8.46,;.6,9.55,;-.89,9.15,;-1.29,7.66,;-.2,6.57,;-2.78,7.26,;-3.86,8.35,;-3.17,5.78,;-2.78,8.8,)| Show InChI InChI=1S/C31H31F3N4O3/c1-28(41,21-4-2-5-22(18-21)31(32,33)34)20-8-6-19(7-9-20)23-24-25(35)36-16-17-38(24)26(37-23)29-10-3-11-30(14-12-29,15-13-29)27(39)40/h2,4-9,16-18,41H,3,10-15H2,1H3,(H2,35,36)(H,39,40)/t28-,29?,30?/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	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350148 ((1S,3S)-3-[8-amino-1-(4- {(1R)-1-hydroxy-1-[3- (tr...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)[C@@]1(C)CC[C@@](C)(C1)C(O)=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F3N4O3/c1-26(11-12-27(2,16-26)25(37)38)24-35-21(22-23(33)34-13-14-36(22)24)17-7-9-18(10-8-17)28(3,39)19-5-4-6-20(15-19)29(30,31)32/h4-10,13-15,39H,11-12,16H2,1-3H3,(H2,33,34)(H,37,38)/t26-,27-,28+/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	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350165 (4-[8-amino-1-(4-{(1R)-1- [3-(difluoromethyl)phenyl...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(C)CCC(C)(CC1)C(O)=O)c1cccc(c1)C(F)F |r,wU:1.0,wD:1.1,(3.86,5.51,;2.38,5.91,;3.47,7,;1.98,4.42,;3.07,3.33,;2.67,1.84,;1.18,1.45,;.09,2.53,;.49,4.02,;.78,-.04,;1.69,-1.29,;.78,-2.53,;-.68,-2.06,;-2.02,-2.83,;-3.35,-2.06,;-3.35,-.52,;-2.02,.25,;-2.02,1.79,;-.68,-.52,;1.18,-4.02,;-.31,-3.62,;.09,-5.11,;.49,-6.6,;1.98,-7,;3.47,-7.4,;3.07,-5.91,;2.67,-4.42,;2.38,-8.48,;1.29,-9.57,;3.86,-8.88,;1.29,7,;1.69,8.48,;.6,9.57,;-.89,9.17,;-1.29,7.69,;-.2,6.6,;-2.78,7.29,;-3.86,8.38,;-3.17,5.8,)| Show InChI InChI=1S/C30H32F2N4O3/c1-28(11-13-29(2,14-12-28)27(37)38)26-35-22(23-25(33)34-15-16-36(23)26)18-7-9-20(10-8-18)30(3,39)21-6-4-5-19(17-21)24(31)32/h4-10,15-17,24,39H,11-14H2,1-3H3,(H2,33,34)(H,37,38)/t28?,29?,30-/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	11.4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350167 ((1R,3r,5S,6s)-3-[8-amino-1- (4-{(1R)-1-hydroxy-1-[...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2C[C@H]3[C@@H](C2)[C@H]3C(O)=O)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H25F3N4O3/c1-27(38,17-3-2-4-18(13-17)28(29,30)31)16-7-5-14(6-8-16)22-23-24(32)33-9-10-35(23)25(34-22)15-11-19-20(12-15)21(19)26(36)37/h2-10,13,15,19-21,38H,11-12H2,1H3,(H2,32,33)(H,36,37)/t15-,19-,20+,21-,27-/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	15.7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350144 (4-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1(F)F)(C(O)=O)C(F)(F)C2)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H25F7N4O3/c1-25(44,18-3-2-4-19(13-18)30(35,36)37)17-7-5-16(6-8-17)20-21-22(38)39-11-12-41(21)23(40-20)26-9-10-27(24(42)43,15-28(26,31)32)29(33,34)14-26/h2-8,11-13,44H,9-10,14-15H2,1H3,(H2,38,39)(H,42,43)/t25-,26?,27?/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	17.3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350137 ((1S,3S)-3-[8-amino-1-(4- {(1R)-1-hydroxy-1-[3- (tr...) Show SMILES CC(C)[C@@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r| Show InChI InChI=1S/C30H31F3N4O3/c1-17(2)29(27(38)39)12-11-19(16-29)26-36-23(24-25(34)35-13-14-37(24)26)18-7-9-20(10-8-18)28(3,40)21-5-4-6-22(15-21)30(31,32)33/h4-10,13-15,17,19,40H,11-12,16H2,1-3H3,(H2,34,35)(H,38,39)/t19-,28+,29-/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	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350155 ((1S,2S,5S)-5-[8-amino-1- (4-{(1R)-1-hydroxy-1-[3- ...) Show SMILES CC(C)[C@@H]1CC[C@@H](C[C@@H]1C(O)=O)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C31H33F3N4O3/c1-17(2)23-12-9-19(15-24(23)29(39)40)28-37-25(26-27(35)36-13-14-38(26)28)18-7-10-20(11-8-18)30(3,41)21-5-4-6-22(16-21)31(32,33)34/h4-8,10-11,13-14,16-17,19,23-24,41H,9,12,15H2,1-3H3,(H2,35,36)(H,39,40)/t19-,23-,24-,30+/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	28.7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350162 ((1R,3S)-3-[8-amino-5- chloro-1-(4-{(1R)-1-[3- (dif...) Show SMILES CC(C)[C@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)F)c2c(N)ncc(Cl)n12)C(O)=O |r| Show InChI InChI=1S/C30H31ClF2N4O3/c1-16(2)30(28(38)39)12-11-19(14-30)27-36-23(24-26(34)35-15-22(31)37(24)27)17-7-9-20(10-8-17)29(3,40)21-6-4-5-18(13-21)25(32)33/h4-10,13,15-16,19,25,40H,11-12,14H2,1-3H3,(H2,34,35)(H,38,39)/t19-,29+,30+/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	32.3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350158 ((3-exo,8-syn)-3-[8-amino-1- (4-{(1R)-1-hydroxy-1-[...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2C[C@@H]3CC[C@H](C2)[C@@H]3C(O)=O)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H29F3N4O3/c1-29(40,21-3-2-4-22(15-21)30(31,32)33)20-9-7-16(8-10-20)24-25-26(34)35-11-12-37(25)27(36-24)19-13-17-5-6-18(14-19)23(17)28(38)39/h2-4,7-12,15,17-19,23,40H,5-6,13-14H2,1H3,(H2,34,35)(H,38,39)/t17-,18+,19-,23+,29-/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	33.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350133 (US10208047, Example 1) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(C)CCC(C)(CC1)C(O)=O)c1cccc(c1)C(F)(F)F |r,wU:1.0,wD:1.1,(4.06,5.51,;2.58,5.91,;3.67,7,;2.18,4.42,;3.27,3.33,;2.87,1.84,;1.38,1.45,;.29,2.53,;.69,4.02,;.98,-.04,;1.89,-1.29,;.98,-2.53,;-.48,-2.06,;-1.82,-2.83,;-3.15,-2.06,;-3.15,-.52,;-1.82,.25,;-1.82,1.79,;-.48,-.52,;1.38,-4.02,;2.47,-2.93,;.29,-5.11,;.69,-6.6,;2.18,-7,;3.67,-7.4,;3.27,-5.91,;2.87,-4.42,;2.58,-8.48,;4.06,-8.88,;1.49,-9.57,;1.49,7,;1.89,8.48,;.8,9.57,;-.69,9.17,;-1.09,7.69,;,6.6,;-2.58,7.29,;-3.67,8.38,;-2.98,5.8,;-4.06,6.89,)| Show InChI InChI=1S/C30H31F3N4O3/c1-27(11-13-28(2,14-12-27)26(38)39)25-36-22(23-24(34)35-15-16-37(23)25)18-7-9-19(10-8-18)29(3,40)20-5-4-6-21(17-20)30(31,32)33/h4-10,15-17,40H,11-14H2,1-3H3,(H2,34,35)(H,38,39)/t27?,28?,29-/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	39.4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350157 ((3-endo,8-syn)-3-[8-amino- 1-(4-{(1R)-1-hydroxy-1-...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2C[C@@H]3CC[C@H](C2)[C@@H]3C(O)=O)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H29F3N4O3/c1-29(40,21-3-2-4-22(15-21)30(31,32)33)20-9-7-16(8-10-20)24-25-26(34)35-11-12-37(25)27(36-24)19-13-17-5-6-18(14-19)23(17)28(38)39/h2-4,7-12,15,17-19,23,40H,5-6,13-14H2,1H3,(H2,34,35)(H,38,39)/t17-,18+,19+,23+,29-/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	39.9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350164 ((1R,3R)-3-[8-amino-5- chloro-1-(4-{(1R)-1-[3- (dif...) Show SMILES CC(C)[C@]1(CC[C@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)F)c2c(N)ncc(Cl)n12)C(O)=O |r| Show InChI InChI=1S/C30H31ClF2N4O3/c1-16(2)30(28(38)39)12-11-19(14-30)27-36-23(24-26(34)35-15-22(31)37(24)27)17-7-9-20(10-8-17)29(3,40)21-6-4-5-18(13-21)25(32)33/h4-10,13,15-16,19,25,40H,11-12,14H2,1-3H3,(H2,34,35)(H,38,39)/t19-,29-,30-/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	41.8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350138 (4-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1=O)(C(O)=O)C(=O)C2)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H25F3N4O5/c1-27(42,18-3-2-4-19(13-18)30(31,32)33)17-7-5-16(6-8-17)22-23-24(34)35-11-12-37(23)25(36-22)28-9-10-29(26(40)41,15-20(28)38)21(39)14-28/h2-8,11-13,42H,9-10,14-15H2,1H3,(H2,34,35)(H,40,41)/t27-,28?,29?/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	52	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350149 ((1R,3S)-3-[8-amino-1-(4- {(1R)-1-hydroxy-1-[3- (tr...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)[C@@]1(C)CC[C@](C)(C1)C(O)=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F3N4O3/c1-26(11-12-27(2,16-26)25(37)38)24-35-21(22-23(33)34-13-14-36(22)24)17-7-9-18(10-8-17)28(3,39)19-5-4-6-20(15-19)29(30,31)32/h4-10,13-15,39H,11-12,16H2,1-3H3,(H2,33,34)(H,37,38)/t26-,27+,28+/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	55.1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350153 ((1R,2R,5R)-5-[8-amino-1- (4-{(1R)-1-hydroxy-1-[3- ...) Show SMILES CC(C)[C@H]1CC[C@H](C[C@H]1C(O)=O)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C31H33F3N4O3/c1-17(2)23-12-9-19(15-24(23)29(39)40)28-37-25(26-27(35)36-13-14-38(26)28)18-7-10-20(11-8-18)30(3,41)21-5-4-6-22(16-21)31(32,33)34/h4-8,10-11,13-14,16-17,19,23-24,41H,9,12,15H2,1-3H3,(H2,35,36)(H,39,40)/t19-,23-,24-,30-/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	56.1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350145 ((1R,3S)-3-[8-amino-1-(4- {(1R)-1-hydroxy-1-[3- (tr...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2CC[C@@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H31F3N4O3/c1-27(2)21(12-13-28(27,3)26(38)39)25-36-22(23-24(34)35-14-15-37(23)25)17-8-10-18(11-9-17)29(4,40)19-6-5-7-20(16-19)30(31,32)33/h5-11,14-16,21,40H,12-13H2,1-4H3,(H2,34,35)(H,38,39)/t21-,28+,29-/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	86	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350147 ((1R,3S)-3-[8-amino-1-(4- {(1S)-1-hydroxy-1-[3- (tr...) Show SMILES CC(C)[C@]1(CCC[C@@H](C1)c1nc(-c2ccc(cc2)[C@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r| Show InChI InChI=1S/C31H33F3N4O3/c1-18(2)30(28(39)40)13-5-6-20(17-30)27-37-24(25-26(35)36-14-15-38(25)27)19-9-11-21(12-10-19)29(3,41)22-7-4-8-23(16-22)31(32,33)34/h4,7-12,14-16,18,20,41H,5-6,13,17H2,1-3H3,(H2,35,36)(H,39,40)/t20-,29-,30+/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	104	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350163 ((1S,3S)-3-[8-amino-5- chloro-1-(4-{(1R)-1-[3- (dif...) Show SMILES CC(C)[C@@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)F)c2c(N)ncc(Cl)n12)C(O)=O |r| Show InChI InChI=1S/C30H31ClF2N4O3/c1-16(2)30(28(38)39)12-11-19(14-30)27-36-23(24-26(34)35-15-22(31)37(24)27)17-7-9-20(10-8-17)29(3,40)21-6-4-5-18(13-21)25(32)33/h4-10,13,15-16,19,25,40H,11-12,14H2,1-3H3,(H2,34,35)(H,38,39)/t19-,29+,30-/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	133	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350151 (4-(8-amino-1-{2-ethoxy-4- [1-hydroxy-1-(3- methylp...) Show SMILES CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)C(C)(O)c1cccc(C)c1 Show InChI InChI=1S/C32H36N4O4/c1-4-40-24-19-22(30(3,39)21-7-5-6-20(2)18-21)8-9-23(24)25-26-27(33)34-16-17-36(26)28(35-25)31-10-13-32(14-11-31,15-12-31)29(37)38/h5-9,16-19,39H,4,10-15H2,1-3H3,(H2,33,34)(H,37,38)	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	136	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350150 ((1S,3R)-3-[8-amino-1-(4- {(1R)-1-hydroxy-1-[3- (tr...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@@](C)(C1)C(O)=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F3N4O3/c1-26(11-12-27(2,16-26)25(37)38)24-35-21(22-23(33)34-13-14-36(22)24)17-7-9-18(10-8-17)28(3,39)19-5-4-6-20(15-19)29(30,31)32/h4-10,13-15,39H,11-12,16H2,1-3H3,(H2,33,34)(H,37,38)/t26-,27+,28-/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	178	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350142 (4-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(CCOCC1)C(O)=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H25F3N4O4/c1-25(37,18-3-2-4-19(15-18)27(28,29)30)17-7-5-16(6-8-17)20-21-22(31)32-11-12-34(21)23(33-20)26(24(35)36)9-13-38-14-10-26/h2-8,11-12,15,37H,9-10,13-14H2,1H3,(H2,31,32)(H,35,36)/t25-/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	294	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350139 (1-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H21F3N4O3/c1-23(35,16-3-2-4-17(13-16)25(26,27)28)15-7-5-14(6-8-15)18-19-20(29)30-11-12-32(19)21(31-18)24(9-10-24)22(33)34/h2-8,11-13,35H,9-10H2,1H3,(H2,29,30)(H,33,34)/t23-/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	614	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350135 (4-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H29F3N4O3/c1-27(40,20-3-2-4-21(17-20)30(31,32)33)19-7-5-18(6-8-19)22-23-24(34)35-15-16-37(23)25(36-22)28-9-12-29(13-10-28,14-11-28)26(38)39/h2-8,15-17,40H,9-14H2,1H3,(H2,34,35)(H,38,39)/t27-,28?,29?/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	775	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350136 ((1S,3S)-3-[8-amino-1-(4- {(1S)-1-hydroxy-1-[3- (tr...) Show SMILES CC(C)[C@@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)[C@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r| Show InChI InChI=1S/C30H31F3N4O3/c1-17(2)29(27(38)39)12-11-19(16-29)26-36-23(24-25(34)35-13-14-37(24)26)18-7-9-20(10-8-18)28(3,40)21-5-4-6-22(15-21)30(31,32)33/h4-10,13-15,17,19,40H,11-12,16H2,1-3H3,(H2,34,35)(H,38,39)/t19-,28-,29-/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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350146 ((1S,3R)-3-[8-amino-1-(4- {(1S)-1-hydroxy-1-[3- (tr...) Show SMILES CC(C)[C@@]1(CCC[C@H](C1)c1nc(-c2ccc(cc2)[C@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r| Show InChI InChI=1S/C31H33F3N4O3/c1-18(2)30(28(39)40)13-5-6-20(17-30)27-37-24(25-26(35)36-14-15-38(25)27)19-9-11-21(12-10-19)29(3,41)22-7-4-8-23(16-22)31(32,33)34/h4,7-12,14-16,18,20,41H,5-6,13,17H2,1-3H3,(H2,35,36)(H,39,40)/t20-,29+,30+/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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair