Compile Data Set for Download or QSAR

Found 922 hits with Last Name = 'guiadeen' and Initial = 'dg'   

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))	BDBM359027 ((6R,8aS)-6-[8-amino-1- (4-{1-[3-(2,2- difluorocycl...) Show SMILES CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C1CC1(F)F |r| Show InChI InChI=1S/C31H31F2N5O2/c1-30(40,22-4-2-3-19(15-22)24-16-31(24,32)33)21-8-5-18(6-9-21)26-27-28(34)35-13-14-37(27)29(36-26)20-7-10-23-11-12-25(39)38(23)17-20/h2-6,8-9,13-15,20,23-24,40H,7,10-12,16-17H2,1H3,(H2,34,35)/t20-,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	0.0700	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM358907 ((6R,8aS)-6-(8-amino-1- {4-[(1R)-1-(3- cyclopropylp...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C1CC1 |r| Show InChI InChI=1S/C31H33N5O2/c1-31(38,24-4-2-3-21(17-24)19-5-6-19)23-10-7-20(8-11-23)27-28-29(32)33-15-16-35(28)30(34-27)22-9-12-25-13-14-26(37)36(25)18-22/h2-4,7-8,10-11,15-17,19,22,25,38H,5-6,9,12-14,18H2,1H3,(H2,32,33)/t22-,25+,31-/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	0.0700	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359045 ((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-[3- (difluoromet...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)CC3(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)F |r| Show InChI InChI=1S/C31H33F2N5O2/c1-30(2)16-24(39)38-17-20(9-12-23(30)38)29-36-25(26-28(34)35-13-14-37(26)29)18-7-10-21(11-8-18)31(3,40)22-6-4-5-19(15-22)27(32)33/h4-8,10-11,13-15,20,23,27,40H,9,12,16-17H2,1-3H3,(H2,34,35)/t20-,23+,31-/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	0.100	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359027 ((6R,8aS)-6-[8-amino-1- (4-{1-[3-(2,2- difluorocycl...) Show SMILES CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C1CC1(F)F |r| Show InChI InChI=1S/C31H31F2N5O2/c1-30(40,22-4-2-3-19(15-22)24-16-31(24,32)33)21-8-5-18(6-9-21)26-27-28(34)35-13-14-37(27)29(36-26)20-7-10-23-11-12-25(39)38(23)17-20/h2-6,8-9,13-15,20,23-24,40H,7,10-12,16-17H2,1H3,(H2,34,35)/t20-,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	0.100	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM358985 ((6R,8aS)-6-(8-amino-5- chloro-1-{4-[(1R)-1-(3- cyc...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C1CC1 |r| Show InChI InChI=1S/C31H32ClN5O2/c1-31(39,23-4-2-3-20(15-23)18-5-6-18)22-10-7-19(8-11-22)27-28-29(33)34-16-25(32)37(28)30(35-27)21-9-12-24-13-14-26(38)36(24)17-21/h2-4,7-8,10-11,15-16,18,21,24,39H,5-6,9,12-14,17H2,1H3,(H2,33,34)/t21-,24+,31-/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	0.120	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM358952 ((6R,8aS)-6-(8-amino-1- {4-[(1R)-1-(3- cyclobutylph...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C1CCC1 |r| Show InChI InChI=1S/C32H35N5O2/c1-32(39,25-7-3-6-22(18-25)20-4-2-5-20)24-11-8-21(9-12-24)28-29-30(33)34-16-17-36(29)31(35-28)23-10-13-26-14-15-27(38)37(26)19-23/h3,6-9,11-12,16-18,20,23,26,39H,2,4-5,10,13-15,19H2,1H3,(H2,33,34)/t23-,26+,32-/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	0.120	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288560 (4-[8-amino-1-(4-{[4- (trifluoromethyl) pyridin-2- ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(CC2)C(O)=O Show InChI InChI=1S/C28H25F3N6O3/c29-28(30,31)18-5-12-33-19(15-18)35-23(38)17-3-1-16(2-4-17)20-21-22(32)34-13-14-37(21)24(36-20)26-6-9-27(10-7-26,11-8-26)25(39)40/h1-5,12-15H,6-11H2,(H2,32,34)(H,39,40)(H,33,35,38)	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	0.130	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359002 ((6R,8aS)-6-[8-amino-5- chloro-1-(4-{(1R)-1-[3- (di...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C(F)F |r| Show InChI InChI=1S/C29H28ClF2N5O2/c1-29(39,20-4-2-3-17(13-20)26(31)32)19-8-5-16(6-9-19)24-25-27(33)34-14-22(30)37(25)28(35-24)18-7-10-21-11-12-23(38)36(21)15-18/h2-6,8-9,13-14,18,21,26,39H,7,10-12,15H2,1H3,(H2,33,34)/t18-,21+,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	0.140	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM358961 ((6R,8aS)-6-(8-amino-1- (4-[(1R)-1-(3- ethylphenyl)...) Show SMILES CCc1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r| Show InChI InChI=1S/C30H33N5O2/c1-3-19-5-4-6-23(17-19)30(2,37)22-10-7-20(8-11-22)26-27-28(31)32-15-16-34(27)29(33-26)21-9-12-24-13-14-25(36)35(24)18-21/h4-8,10-11,15-17,21,24,37H,3,9,12-14,18H2,1-2H3,(H2,31,32)/t21-,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	0.150	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288448 (US10087188, Example 55 | {(1R,3R)-3-[8-amino- 1-(4...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C26H23F3N6O3/c27-26(28,29)18-7-8-31-19(13-18)33-25(38)16-5-3-15(4-6-16)21-22-23(30)32-9-10-35(22)24(34-21)17-2-1-14(11-17)12-20(36)37/h3-10,13-14,17H,1-2,11-12H2,(H2,30,32)(H,36,37)(H,31,33,38)/t14-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288562 (4-[8-amino-1-(2- fluoro-4-{[4- (trifluoromethyl) p...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(CC2)C(O)=O Show InChI InChI=1S/C28H24F4N6O3/c29-18-13-15(23(39)36-19-14-16(3-10-34-19)28(30,31)32)1-2-17(18)20-21-22(33)35-11-12-38(21)24(37-20)26-4-7-27(8-5-26,9-6-26)25(40)41/h1-3,10-14H,4-9H2,(H2,33,35)(H,40,41)(H,34,36,39)	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	0.160	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288442 ((1S,3S)-3-[8-amino-1- (4-{[4- (trifluoromethyl) py...) Show SMILES CC(C)[C@@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r| Show InChI InChI=1S/C28H27F3N6O3/c1-15(2)27(26(39)40)9-7-18(14-27)24-36-21(22-23(32)34-11-12-37(22)24)16-3-5-17(6-4-16)25(38)35-20-13-19(8-10-33-20)28(29,30)31/h3-6,8,10-13,15,18H,7,9,14H2,1-2H3,(H2,32,34)(H,39,40)(H,33,35,38)/t18-,27-/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	0.160	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359068 ((6R,8aS)-6-[8-amino-1- (4-{1-[3- (difluoromethyl)p...) Show SMILES CC(O)(c1cccc(c1)C(F)F)c1ccc(-c2nc([C@@H]3CC[C@@H]4N(C3)C(=O)CC4(C)C)n3ccnc(N)c23)c(F)c1 |r| Show InChI InChI=1S/C31H32F3N5O2/c1-30(2)15-24(40)39-16-18(7-10-23(30)39)29-37-25(26-28(35)36-11-12-38(26)29)21-9-8-20(14-22(21)32)31(3,41)19-6-4-5-17(13-19)27(33)34/h4-6,8-9,11-14,18,23,27,41H,7,10,15-16H2,1-3H3,(H2,35,36)/t18-,23+,31?/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	0.160	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288528 ((1R,3R)-3-[8-amino- 1-(2-fluoro-4-{[4- (trifluorom...) Show SMILES C[C@]1(CC[C@](C)(C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r| Show InChI InChI=1S/C27H24F4N6O3/c1-25(6-7-26(2,13-25)24(39)40)23-36-19(20-21(32)34-9-10-37(20)23)16-4-3-14(11-17(16)28)22(38)35-18-12-15(5-8-33-18)27(29,30)31/h3-5,8-12H,6-7,13H2,1-2H3,(H2,32,34)(H,39,40)(H,33,35,38)/t25-,26-/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	0.170	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM358947 ((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-hydroxy-1- [3-(2...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(CC(F)(F)F)c1 |r| Show InChI InChI=1S/C30H30F3N5O2/c1-29(40,22-4-2-3-18(15-22)16-30(31,32)33)21-8-5-19(6-9-21)25-26-27(34)35-13-14-37(26)28(36-25)20-7-10-23-11-12-24(39)38(23)17-20/h2-6,8-9,13-15,20,23,40H,7,10-12,16-17H2,1H3,(H2,34,35)/t20-,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	0.170	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359057 ((6'R,8a'S)-6'-[8-amino- 1-(4-{(1R)-1-[3- (difluoro...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)CC32CC2)n2ccnc(N)c12)c1cccc(c1)C(F)F |r| Show InChI InChI=1S/C31H31F2N5O2/c1-30(40,22-4-2-3-19(15-22)27(32)33)21-8-5-18(6-9-21)25-26-28(34)35-13-14-37(26)29(36-25)20-7-10-23-31(11-12-31)16-24(39)38(23)17-20/h2-6,8-9,13-15,20,23,27,40H,7,10-12,16-17H2,1H3,(H2,34,35)/t20-,23+,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	0.170	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM358989 ((6R,8aS)-6-[8-amino-5- chloro-1-(4-{(1R)-1- hydrox...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(CC(F)(F)F)c1 |r| Show InChI InChI=1S/C30H29ClF3N5O2/c1-29(41,21-4-2-3-17(13-21)14-30(32,33)34)20-8-5-18(6-9-20)25-26-27(35)36-15-23(31)39(26)28(37-25)19-7-10-22-11-12-24(40)38(22)16-19/h2-6,8-9,13,15,19,22,41H,7,10-12,14,16H2,1H3,(H2,35,36)/t19-,22+,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	0.180	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM278940 (4-{8-amino-3- [(6R,8aS)-6-methyl-3- oxohexahydro[1...) Show SMILES C[C@]1(CC[C@H]2COC(=O)N2C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H28FN7O3/c1-29(8-6-19-14-40-28(39)37(19)15-29)27-35-23(24-25(31)33-10-11-36(24)27)20-5-4-18(12-21(20)30)26(38)34-22-13-17(7-9-32-22)16-2-3-16/h4-5,7,9-13,16,19H,2-3,6,8,14-15H2,1H3,(H2,31,33)(H,32,34,38)/t19-,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	0.180	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 US10040805 (2018) BindingDB Entry DOI: 10.7270/Q25M67RD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM278947 (4-{8-amino-3- [(6R,8aS)-6-methyl-3- oxooctahydroin...) Show SMILES C[C@]1(CC[C@H]2COC(=O)N2C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H24F3N7O3/c1-26(8-6-18-13-40-25(39)37(18)14-26)24-35-20(21-22(31)33-10-11-36(21)24)15-2-4-16(5-3-15)23(38)34-19-12-17(7-9-32-19)27(28,29)30/h2-5,7,9-12,18H,6,8,13-14H2,1H3,(H2,31,33)(H,32,34,38)/t18-,26+/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	0.180	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 US10040805 (2018) BindingDB Entry DOI: 10.7270/Q25M67RD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288447 (US10087188, Example 54 | {(1S,3R)-3-[8-amino- 1-(4...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C26H23F3N6O3/c27-26(28,29)18-7-8-31-19(13-18)33-25(38)16-5-3-15(4-6-16)21-22-23(30)32-9-10-35(22)24(34-21)17-2-1-14(11-17)12-20(36)37/h3-10,13-14,17H,1-2,11-12H2,(H2,30,32)(H,36,37)(H,31,33,38)/t14-,17+/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	0.180	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288561 (4-(8-amino-1-{4-[(4- cyclopropylpyridin-2- yl)carb...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)C12CCC(CC1)(CC2)C(O)=O Show InChI InChI=1S/C30H30N6O3/c31-25-24-23(19-3-5-20(6-4-19)26(37)34-22-17-21(7-14-32-22)18-1-2-18)35-27(36(24)16-15-33-25)29-8-11-30(12-9-29,13-10-29)28(38)39/h3-7,14-18H,1-2,8-13H2,(H2,31,33)(H,38,39)(H,32,34,37)	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	0.190	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM358940 ((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-[3- (difluoromet...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)F |r| Show InChI InChI=1S/C29H29F2N5O2/c1-29(38,21-4-2-3-18(15-21)26(30)31)20-8-5-17(6-9-20)24-25-27(32)33-13-14-35(25)28(34-24)19-7-10-22-11-12-23(37)36(22)16-19/h2-6,8-9,13-15,19,22,26,38H,7,10-12,16H2,1H3,(H2,32,33)/t19-,22+,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	0.190	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359049 ((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-[3- (difluoromet...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)F |r| Show InChI InChI=1S/C31H33F2N5O2/c1-30(2)16-23-12-9-20(17-38(23)29(30)39)28-36-24(25-27(34)35-13-14-37(25)28)18-7-10-21(11-8-18)31(3,40)22-6-4-5-19(15-22)26(32)33/h4-8,10-11,13-15,20,23,26,40H,9,12,16-17H2,1-3H3,(H2,34,35)/t20-,23+,31-/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	0.200	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359012 ((6R,8aS)-6-[8-amino-1- (4-{1-[3- (difluoromethoxy)...) Show SMILES CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(OC(F)F)c1 |r| Show InChI InChI=1S/C29H29F2N5O3/c1-29(38,20-3-2-4-22(15-20)39-28(30)31)19-8-5-17(6-9-19)24-25-26(32)33-13-14-35(25)27(34-24)18-7-10-21-11-12-23(37)36(21)16-18/h2-6,8-9,13-15,18,21,28,38H,7,10-12,16H2,1H3,(H2,32,33)/t18-,21+,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	0.200	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288463 (4-(8-amino-1-(2- fluoro-4-((4- (trifluoromethyl) p...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12C3C4C1C1C2C3C41C(O)=O |(-5.29,2.33,;-5.68,.84,;-7.19,.52,;-7.67,-.95,;-6.64,-2.09,;-5.13,-1.77,;-3.88,-2.68,;-2.64,-1.77,;-3.11,-.31,;-2.34,1.03,;-3.11,2.36,;-2.34,3.69,;-.8,3.69,;-.03,2.36,;-.8,1.03,;-.03,-.31,;-.03,5.03,;-.8,6.36,;1.51,5.03,;2.28,6.36,;3.82,6.36,;4.59,7.7,;3.82,9.03,;2.28,9.03,;1.51,7.7,;6.13,7.7,;6.9,9.03,;6.9,6.36,;7.67,7.7,;-4.65,-.31,;-3.88,-4.22,;-2.4,-4.61,;-1.63,-5.95,;-3.11,-5.55,;-4.45,-6.32,;-5.22,-4.99,;-3.73,-5.38,;-2.96,-6.72,;-2.96,-8.26,;-4.3,-9.03,;-1.63,-9.03,)| Show InChI InChI=1S/C28H18F4N6O3/c29-12-7-9(23(39)36-13-8-10(3-4-34-13)28(30,31)32)1-2-11(12)20-21-22(33)35-5-6-38(21)24(37-20)26-14-17-15(26)19-16(26)18(14)27(17,19)25(40)41/h1-8,14-19H,(H2,33,35)(H,40,41)(H,34,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM358944 ((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-hydroxy-1-[3(1- ...) Show SMILES CC(C)c1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r| Show InChI InChI=1S/C31H35N5O2/c1-19(2)21-5-4-6-24(17-21)31(3,38)23-10-7-20(8-11-23)27-28-29(32)33-15-16-35(28)30(34-27)22-9-12-25-13-14-26(37)36(25)18-22/h4-8,10-11,15-17,19,22,25,38H,9,12-14,18H2,1-3H3,(H2,32,33)/t22-,25+,31-/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	0.210	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359008 ((6R,8aS)-6-[8-amino-5- chloro-1-(4-{(1R)-1-[3-(1,1...) Show SMILES CC(F)(F)c1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12 |r| Show InChI InChI=1S/C30H30ClF2N5O2/c1-29(40,20-4-3-5-21(14-20)30(2,32)33)19-9-6-17(7-10-19)25-26-27(34)35-15-23(31)38(26)28(36-25)18-8-11-22-12-13-24(39)37(22)16-18/h3-7,9-10,14-15,18,22,40H,8,11-13,16H2,1-2H3,(H2,34,35)/t18-,22+,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	0.220	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM358982 ((4aS,7R)-7-[8-amino-1- (4-{(1R)-1-hydroxy-1-[3- (t...) Show SMILES CN1CC[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C30H31F3N6O2/c1-29(41,21-4-3-5-22(16-21)30(31,32)33)20-9-6-18(7-10-20)24-25-26(34)35-13-15-38(25)27(36-24)19-8-11-23-12-14-37(2)28(40)39(23)17-19/h3-7,9-10,13,15-16,19,23,41H,8,11-12,14,17H2,1-2H3,(H2,34,35)/t19-,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	0.220	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM278939 (4-{8-amino-3- [(6R,8aS)-6-methyl-3- oxohexahydro[1...) Show SMILES C[C@]1(CC[C@H]2COC(=O)N2C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H23F4N7O3/c1-26(6-4-16-12-41-25(40)38(16)13-26)24-36-20(21-22(32)34-8-9-37(21)24)17-3-2-14(10-18(17)28)23(39)35-19-11-15(5-7-33-19)27(29,30)31/h2-3,5,7-11,16H,4,6,12-13H2,1H3,(H2,32,34)(H,33,35,39)/t16-,26+/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	0.220	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 US10040805 (2018) BindingDB Entry DOI: 10.7270/Q25M67RD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM358915 ((6R,8aS)-6-(8-amino-1- (4-[(1R)-1-hydroxy-1-(3- me...) Show SMILES Cc1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r| Show InChI InChI=1S/C29H31N5O2/c1-18-4-3-5-22(16-18)29(2,36)21-9-6-19(7-10-21)25-26-27(30)31-14-15-33(26)28(32-25)20-8-11-23-12-13-24(35)34(23)17-20/h3-7,9-10,14-16,20,23,36H,8,11-13,17H2,1-2H3,(H2,30,31)/t20-,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	0.230	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM514590 (US11098029, Example 26) Show SMILES COC(=O)N1[C@H](C)C[C@H](NS(=O)(=O)CF)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1 |r,wU:15.16,8.8,5.5,wD:21.25,18.18,(3.21,-6.71,;4.12,-5.46,;3.49,-4.05,;1.96,-3.89,;4.4,-2.81,;5.94,-2.81,;6.84,-4.05,;6.41,-1.34,;5.17,-.44,;5.17,1.1,;6.5,1.87,;7.27,.54,;5.73,3.21,;7.83,2.64,;7.83,4.18,;3.92,-1.34,;2.45,-.87,;1.31,-1.9,;-.15,-1.42,;-.47,.08,;-1.94,.56,;-3.08,-.47,;-2.76,-1.98,;-1.3,-2.45,;-4.55,.01,;-4.87,1.51,;-6.33,1.99,;-7.48,.96,;-7.16,-.55,;-8.3,-1.58,;-5.69,-1.03,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C250MP
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM514601 (US11098029, Example 37) Show SMILES COc1ccc(CN([C@H]2C[C@@H](C)N([C@H]2CO[C@H]2CC[C@H](CC2)c2cccc(F)c2)C(=O)OCc2ccccc2)S(=O)(=O)N(C)C)cc1 |r,wU:10.10,8.7,13.14,16.16,19.23,(-8.92,-1.04,;-7.39,-1.2,;-6.49,.05,;-7.11,1.45,;-6.21,2.7,;-4.67,2.54,;-3.77,3.78,;-2.24,3.62,;-1.33,4.87,;-1.81,6.33,;-.56,7.24,;-.56,8.78,;.68,6.33,;.21,4.87,;1.11,3.62,;2.64,3.78,;3.55,2.54,;5.08,2.7,;5.99,1.45,;5.36,.05,;3.83,-.12,;2.92,1.13,;6.26,-1.2,;5.64,-2.61,;6.54,-3.85,;8.08,-3.69,;8.7,-2.29,;10.23,-2.12,;7.8,-1.04,;2.15,6.81,;3.29,5.78,;2.47,8.31,;1.32,9.35,;1.64,10.85,;.5,11.88,;.82,13.39,;2.28,13.86,;3.43,12.83,;3.11,11.33,;-1.61,2.22,;-.2,2.84,;-3.02,1.59,;-.99,.81,;.55,.65,;-1.89,-.44,;-4.05,1.13,;-4.95,-.12,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C250MP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288461 (5-[8-amino-1-(4-{[4- (trifluoromethyl) pyridin-2- ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(CCC2)C(O)=O |(-3.42,.1,;-3.42,-1.44,;-4.75,-2.21,;-4.75,-3.75,;-3.42,-4.52,;-2.08,-3.75,;-.62,-4.22,;.29,-2.98,;-.62,-1.73,;-.22,-.24,;1.27,.16,;1.67,1.64,;.58,2.73,;-.91,2.33,;-1.31,.85,;.98,4.22,;-.11,5.31,;2.46,4.62,;2.86,6.11,;1.77,7.2,;2.17,8.68,;3.66,9.08,;4.75,7.99,;4.35,6.51,;1.08,9.77,;-.4,9.37,;1.48,11.26,;2.57,10.17,;-2.08,-2.21,;-.22,-5.71,;-1.31,-6.8,;-.91,-8.29,;.58,-8.68,;1.67,-7.59,;1.27,-6.11,;2.31,-8.29,;2.31,-6.75,;1.32,-5.71,;.18,-10.17,;-1.31,-10.57,;1.27,-11.26,)| Show InChI InChI=1S/C29H27F3N6O3/c30-29(31,32)19-6-13-34-20(16-19)36-24(39)18-4-2-17(3-5-18)21-22-23(33)35-14-15-38(22)25(37-21)27-7-1-8-28(11-9-27,12-10-27)26(40)41/h2-6,13-16H,1,7-12H2,(H2,33,35)(H,40,41)(H,34,36,39)	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	0.230	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288524 ((1R,3R)-3-[8-amino- 1-(2-chloro-4-{[4- (trifluorom...) Show SMILES C[C@]1(CC[C@](C)(C1)c1nc(-c2ccc(cc2Cl)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r| Show InChI InChI=1S/C27H24ClF3N6O3/c1-25(6-7-26(2,13-25)24(39)40)23-36-19(20-21(32)34-9-10-37(20)23)16-4-3-14(11-17(16)28)22(38)35-18-12-15(5-8-33-18)27(29,30)31/h3-5,8-12H,6-7,13H2,1-2H3,(H2,32,34)(H,39,40)(H,33,35,38)/t25-,26-/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	0.25	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288443 (US10087188, Example 50 | {(1R,3S)-3-[8-amino- 1-(4...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C26H23F3N6O3/c27-26(28,29)18-7-8-31-19(13-18)33-25(38)16-5-3-15(4-6-16)21-22-23(30)32-9-10-35(22)24(34-21)17-2-1-14(11-17)12-20(36)37/h3-10,13-14,17H,1-2,11-12H2,(H2,30,32)(H,36,37)(H,31,33,38)/t14-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288508 ((1S,3R)-3-[8-amino-1- (2-fluoro-6-methoxy- 4-{[4- ...) Show SMILES COc1cc(cc(F)c1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:12.12,15.17,wD:15.16,(1.96,-3.6,;2.36,-2.11,;1.27,-1.02,;1.67,.47,;.58,1.56,;-.91,1.16,;-1.31,-.33,;-2.8,.07,;-.22,-1.42,;-.62,-2.91,;.29,-4.15,;-.62,-5.4,;.15,-6.73,;-.75,-7.98,;.15,-9.22,;1.62,-8.75,;2.39,-10.08,;3.16,-8.75,;3.93,-10.08,;3.93,-7.41,;1.62,-7.21,;3.16,-7.21,;2.39,-5.87,;-2.08,-4.92,;-3.42,-5.69,;-4.75,-4.92,;-4.75,-3.38,;-3.42,-2.61,;-3.42,-1.07,;-2.08,-3.38,;.98,3.04,;-.11,4.13,;2.46,3.44,;2.86,4.93,;1.77,6.02,;2.17,7.51,;3.66,7.9,;4.75,6.82,;4.35,5.33,;1.08,8.59,;-.4,8.2,;1.48,10.08,;-.01,9.68,)| Show InChI InChI=1S/C29H28F4N6O4/c1-27(2)16(5-7-28(27,3)26(41)42)24-38-21(22-23(34)36-9-10-39(22)24)20-17(30)11-14(12-18(20)43-4)25(40)37-19-13-15(6-8-35-19)29(31,32)33/h6,8-13,16H,5,7H2,1-4H3,(H2,34,36)(H,41,42)(H,35,37,40)/t16-,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	0.260	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM358909 ((6R,8aS)-6-(8-amino-1- {4-[(1R)-1-(3-tert- bulylph...) Show SMILES CC(C)(C)c1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r| Show InChI InChI=1S/C32H37N5O2/c1-31(2,3)23-6-5-7-24(18-23)32(4,39)22-11-8-20(9-12-22)27-28-29(33)34-16-17-36(28)30(35-27)21-10-13-25-14-15-26(38)37(25)19-21/h5-9,11-12,16-18,21,25,39H,10,13-15,19H2,1-4H3,(H2,33,34)/t21-,25+,32-/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	0.270	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288416 (US10087188, Example 21) Show SMILES CC1(CCC(C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O Show InChI InChI=1S/C27H25F3N6O3/c1-25(8-9-26(2,14-25)24(38)39)23-35-19(20-21(31)33-11-12-36(20)23)15-3-5-16(6-4-15)22(37)34-18-13-17(7-10-32-18)27(28,29)30/h3-7,10-13H,8-9,14H2,1-2H3,(H2,31,33)(H,38,39)(H,32,34,37)	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	0.270	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359029 ((6S,8aR)-6-[8-amino-1- (4-{(1R)-1-hydroxy-1-[3- (t...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2CC[C@H]3N(C2)C(=O)CC3(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C31H32F3N5O2/c1-29(2)16-24(40)39-17-19(9-12-23(29)39)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(15-21)31(32,33)34/h4-8,10-11,13-15,19,23,41H,9,12,16-17H2,1-3H3,(H2,35,36)/t19-,23+,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	0.270	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM514589 (US11098029, Example 25) Show SMILES CNS(=O)(=O)N[C@H]1C[C@@H](C)N([C@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1)C(=O)OC |r,wU:17.21,14.14,11.12,6.5,8.8,(-.26,2.51,;.65,1.26,;2.18,1.42,;2.02,2.96,;2.34,-.11,;3.71,1.59,;4.62,.34,;6.16,.34,;6.63,-1.13,;7.96,-1.9,;5.39,-2.03,;4.14,-1.13,;2.65,-1.52,;1.56,-.43,;.08,-.83,;-.32,-2.32,;-1.81,-2.72,;-2.9,-1.63,;-2.5,-.14,;-1.01,.26,;-4.39,-2.03,;-4.79,-3.52,;-6.27,-3.92,;-7.36,-2.83,;-6.96,-1.34,;-8.05,-.25,;-5.48,-.94,;5.39,-3.57,;4.05,-4.34,;6.72,-4.34,;8.05,-3.57,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C250MP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288549 ((1R,3S)-3-[8-amino-1- (4-{[4- (trifluoromethyl) py...) Show SMILES C[C@]1(CCC[C@@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r| Show InChI InChI=1S/C27H25F3N6O3/c1-26(25(38)39)9-2-3-17(14-26)23-35-20(21-22(31)33-11-12-36(21)23)15-4-6-16(7-5-15)24(37)34-19-13-18(8-10-32-19)27(28,29)30/h4-8,10-13,17H,2-3,9,14H2,1H3,(H2,31,33)(H,38,39)(H,32,34,37)/t17-,26+/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	0.280	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM358966 ((6R,8aS)-6-(8-amino-1- {4-[(1R)-1-(3- cyclopropylp...) Show SMILES COc1cc(ccc1[C@](C)(O)c1cccc(c1)C1CC1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r| Show InChI InChI=1S/C32H35N5O3/c1-32(39,23-5-3-4-20(16-23)19-6-7-19)25-12-9-21(17-26(25)40-2)28-29-30(33)34-14-15-36(29)31(35-28)22-8-10-24-11-13-27(38)37(24)18-22/h3-5,9,12,14-17,19,22,24,39H,6-8,10-11,13,18H2,1-2H3,(H2,33,34)/t22-,24+,32-/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	0.280	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288563 (4-[8-amino-1-(2- methoxy-4-{[4- (trifluoromethyl) ...) Show SMILES COc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F Show InChI InChI=1S/C29H27F3N6O4/c1-42-19-14-16(24(39)36-20-15-17(4-11-34-20)29(30,31)32)2-3-18(19)21-22-23(33)35-12-13-38(22)25(37-21)27-5-8-28(9-6-27,10-7-27)26(40)41/h2-4,11-15H,5-10H2,1H3,(H2,33,35)(H,40,41)(H,34,36,39)	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	0.290	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288444 (US10087188, Example 51 | {(1S,3S)-3-[8-amino- 1-(4...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C26H23F3N6O3/c27-26(28,29)18-7-8-31-19(13-18)33-25(38)16-5-3-15(4-6-16)21-22-23(30)32-9-10-35(22)24(34-21)17-2-1-14(11-17)12-20(36)37/h3-10,13-14,17H,1-2,11-12H2,(H2,30,32)(H,36,37)(H,31,33,38)/t14-,17-/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	0.290	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359000 ((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-[3-(1,1- difluor...) Show SMILES CC(F)(F)c1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r| Show InChI InChI=1S/C30H31F2N5O2/c1-29(39,21-4-3-5-22(16-21)30(2,31)32)20-9-6-18(7-10-20)25-26-27(33)34-14-15-36(26)28(35-25)19-8-11-23-12-13-24(38)37(23)17-19/h3-7,9-10,14-16,19,23,39H,8,11-13,17H2,1-2H3,(H2,33,34)/t19-,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	0.300	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Sodium channel protein type 10 subunit alpha (Homo sapiens (Human))	BDBM50547894 (CHEMBL4760292 | US11377438, Example 172) Show SMILES Cc1nc(N2CCCC(F)(F)CC2)c(cc1Cl)C(=O)Nc1ccnc(c1)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following buffers were used for the Qube® recordings: External buffer for Nav1.8 Qube® recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 1...				Citation and Details BindingDB Entry DOI: 10.7270/Q22R3VXD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM278949 (4-{8-amino-3- [(6R,8aS)-6-methyl-3- oxooctahydroin...) Show SMILES COc1cc(ccc1-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@H]2CCC(=O)N2C1)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C29H28F3N7O3/c1-28(9-7-18-4-6-22(40)39(18)15-28)27-37-23(24-25(33)35-11-12-38(24)27)19-5-3-16(13-20(19)42-2)26(41)36-21-14-17(8-10-34-21)29(30,31)32/h3,5,8,10-14,18H,4,6-7,9,15H2,1-2H3,(H2,33,35)(H,34,36,41)/t18-,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	0.330	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 US10040805 (2018) BindingDB Entry DOI: 10.7270/Q25M67RD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359060 ((6R,8aS)-6-(8-amino-1- (4-{1-[3- (difluoromethyl)p...) Show SMILES CC(O)(c1cccc(c1)C(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(F)c1 |r| Show InChI InChI=1S/C29H28F3N5O2/c1-29(39,18-4-2-3-16(13-18)26(31)32)19-6-9-21(22(30)14-19)24-25-27(33)34-11-12-36(25)28(35-24)17-5-7-20-8-10-23(38)37(20)15-17/h2-4,6,9,11-14,17,20,26,39H,5,7-8,10,15H2,1H3,(H2,33,34)/t17-,20+,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	0.330	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288518 ((1R,3R,5S,6r)-3-[8- amino-1-(4-{[4- (trifluorometh...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1C[C@H]2[C@@H](C1)[C@@H]2C(O)=O |r| Show InChI InChI=1S/C26H21F3N6O3/c27-26(28,29)15-5-6-31-18(11-15)33-24(36)13-3-1-12(2-4-13)20-21-22(30)32-7-8-35(21)23(34-20)14-9-16-17(10-14)19(16)25(37)38/h1-8,11,14,16-17,19H,9-10H2,(H2,30,32)(H,37,38)(H,31,33,36)/t14-,16-,17+,19+	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	0.340	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288564 (4-[8-amino-1-(2- ethoxy-4-{[4- (trifluoromethyl) p...) Show SMILES CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)C(=O)Nc1cc(ccn1)C(F)(F)F Show InChI InChI=1S/C30H29F3N6O4/c1-2-43-20-15-17(25(40)37-21-16-18(5-12-35-21)30(31,32)33)3-4-19(20)22-23-24(34)36-13-14-39(23)26(38-22)28-6-9-29(10-7-28,11-8-28)27(41)42/h3-5,12-16H,2,6-11H2,1H3,(H2,34,36)(H,41,42)(H,35,37,40)	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	0.340	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair

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