Compile Data Set for Download or QSAR

Found 385 hits with Last Name = 'thakkar' and Initial = 'm'   

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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50428976 (CHEMBL2333219) Show SMILES COc1ccc(CNc2c(CO)cnc3c(cc(cc23)C#N)C2CC2)cc1Cl Show InChI InChI=1S/C22H20ClN3O2/c1-28-20-5-2-13(8-19(20)23)10-25-21-16(12-27)11-26-22-17(15-3-4-15)6-14(9-24)7-18(21)22/h2,5-8,11,15,27H,3-4,10,12H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.277	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay				Eur J Med Chem 60: 285-94 (2013) Article DOI: 10.1016/j.ejmech.2012.12.009 BindingDB Entry DOI: 10.7270/Q22F7PSZ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50428975 (CHEMBL2333220) Show SMILES COc1ccc(CNc2c(CO)cnc3c(cc(cc23)C#N)N(C)C)cc1Cl Show InChI InChI=1S/C21H21ClN4O2/c1-26(2)18-8-14(9-23)6-16-20(15(12-27)11-25-21(16)18)24-10-13-4-5-19(28-3)17(22)7-13/h4-8,11,27H,10,12H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay				Eur J Med Chem 60: 285-94 (2013) Article DOI: 10.1016/j.ejmech.2012.12.009 BindingDB Entry DOI: 10.7270/Q22F7PSZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202150 (US9233983, I-20) Show SMILES OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 Show InChI InChI=1S/C36H33F2N5O4/c37-24-15-26(28(20-44)32(16-24)43-9-12-47-33-14-23(22-2-3-22)13-29(38)34(33)36(43)45)25-5-6-39-35-27(25)17-31(41-35)30-4-1-21(18-40-30)19-42-7-10-46-11-8-42/h1,4-6,13-18,22,44H,2-3,7-12,19-20H2,(H,39,41)	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	0.550	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143373 (US9682953, 20.A-10 | US9682953, 20.A-9) Show SMILES Nc1ncc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,2.69,;10,1.93,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)18-6-9-21(29-14-18)34-20-3-1-2-16(11-20)10-15-4-7-19(8-5-15)32-22(33)17-12-30-23(28)31-13-17/h1-3,6,9-14,19H,4-5,7-8H2,(H,32,33)(H2,28,30,31)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50428971 (CHEMBL2333224) Show SMILES COc1ccc(CNc2c(CO)cnc3c(cc(cc23)C#N)N2CCOCC2)cc1Cl Show InChI InChI=1S/C23H23ClN4O3/c1-30-21-3-2-15(9-19(21)24)12-26-22-17(14-29)13-27-23-18(22)8-16(11-25)10-20(23)28-4-6-31-7-5-28/h2-3,8-10,13,29H,4-7,12,14H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay				Eur J Med Chem 60: 285-94 (2013) Article DOI: 10.1016/j.ejmech.2012.12.009 BindingDB Entry DOI: 10.7270/Q22F7PSZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202149 (US9233983, I-19) Show SMILES OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC(F)F)CC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 Show InChI InChI=1S/C38H36F4N6O3/c39-25-15-27(29(21-49)33(16-25)48-11-12-51-34-14-24(23-2-3-23)13-30(40)36(34)38(48)50)26-5-6-43-37-28(26)17-32(45-37)31-4-1-22(18-44-31)19-46-7-9-47(10-8-46)20-35(41)42/h1,4-6,13-18,23,35,49H,2-3,7-12,19-21H2,(H,43,45)	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	0.650	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143358 (US9682953, 20.A-2) Show SMILES CC(C)c1c2C(N(C(=O)c2nn1CC(=O)NC1CCNCC1)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)20-8-11-23(30-16-20)33-22-5-1-3-18(14-22)13-17-6-9-21(10-7-17)31-24(32)19-4-2-12-29-15-19/h1-5,8,11-16,21H,6-7,9-10H2,(H,31,32)/b17-13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202226 (US9233983, R-5) Show SMILES CCN1CC(C1)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:12| Show InChI InChI=1S/C37H38FN5O4/c1-2-41-19-25(20-41)36(45)42-12-9-23(10-13-42)31-18-28-27(8-11-39-35(28)40-31)26-4-3-5-32(29(26)21-44)43-14-15-47-33-17-24(22-6-7-22)16-30(38)34(33)37(43)46/h3-5,8-9,11,16-18,22,25,44H,2,6-7,10,12-15,19-21H2,1H3,(H,39,40)	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	0.75	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143449 (US9682953, 20.A-19 | US9682953, 20.A-20) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cncnc3)c2)nc1 |(-12.67,-.39,;-11.34,.38,;-11.34,1.93,;-11.34,-1.16,;-10,-.38,;-8.67,.38,;-7.34,-.38,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;4.67,.38,;6,-.38,;6,-1.93,;7.34,.38,;8.67,-.38,;10,.38,;10,1.93,;8.67,2.69,;7.34,1.93,;-3.33,-2.69,;-8.67,-2.69,;-10,-1.93,)| Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)19-6-9-22(30-14-19)33-21-3-1-2-17(11-21)10-16-4-7-20(8-5-16)31-23(32)18-12-28-15-29-13-18/h1-3,6,9-15,20H,4-5,7-8H2,(H,31,32)/b16-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14776 (2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...) Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay				Eur J Med Chem 60: 285-94 (2013) Article DOI: 10.1016/j.ejmech.2012.12.009 BindingDB Entry DOI: 10.7270/Q22F7PSZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202200 (US9233983, P-15) Show SMILES CC1(O)CN(C1)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:12| Show InChI InChI=1S/C36H36FN5O5/c1-36(46)19-41(20-36)35(45)40-11-8-22(9-12-40)29-17-26-25(7-10-38-33(26)39-29)24-3-2-4-30(27(24)18-43)42-13-14-47-31-16-23(21-5-6-21)15-28(37)32(31)34(42)44/h2-4,7-8,10,15-17,21,43,46H,5-6,9,11-14,18-20H2,1H3,(H,38,39)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202199 (US9233983, P-14) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:8| Show InChI InChI=1S/C34H34FN5O4/c1-38(2)34(43)39-12-9-21(10-13-39)28-18-25-24(8-11-36-32(25)37-28)23-4-3-5-29(26(23)19-41)40-14-15-44-30-17-22(20-6-7-20)16-27(35)31(30)33(40)42/h3-5,8-9,11,16-18,20,41H,6-7,10,12-15,19H2,1-2H3,(H,36,37)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202198 (US9233983, P-13) Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20| Show InChI InChI=1S/C35H34FN5O4/c36-28-17-23(21-5-6-21)18-31-32(28)34(43)41(15-16-45-31)30-4-1-3-24(27(30)20-42)25-7-10-37-33-26(25)19-29(38-33)22-8-13-40(14-9-22)35(44)39-11-2-12-39/h1,3-4,7-8,10,17-19,21,42H,2,5-6,9,11-16,20H2,(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	1	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202131 (US9233983, I-2) Show SMILES CN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1 Show InChI InChI=1S/C37H37FN6O3/c1-42-11-13-43(14-12-42)21-23-5-8-31(40-20-23)32-19-28-27(9-10-39-36(28)41-32)26-3-2-4-33(29(26)22-45)44-15-16-47-34-18-25(24-6-7-24)17-30(38)35(34)37(44)46/h2-5,8-10,17-20,24,45H,6-7,11-16,21-22H2,1H3,(H,39,41)	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	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143391 (US9682953, 20.A-14) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cnc4[nH]ccc4c3)c2)nc1 |(-12.67,-.39,;-11.34,.38,;-11.34,1.93,;-11.34,-1.16,;-10,-.38,;-8.67,.38,;-7.34,-.38,;-7.34,-1.92,;-6,-2.69,;-4.67,-1.92,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.92,;-.67,-2.69,;.67,-1.92,;2,-2.69,;3.33,-1.92,;3.33,-.38,;2,.38,;.67,-.38,;4.67,.38,;6,-.38,;6,-1.92,;7.34,.38,;8.67,-.38,;10,.38,;10,1.93,;11.15,2.96,;10.52,4.36,;8.99,4.2,;8.67,2.7,;7.34,1.93,;-3.33,-2.69,;-8.67,-2.69,;-10,-1.92,)| Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)21-6-9-24(32-16-21)36-23-3-1-2-18(13-23)12-17-4-7-22(8-5-17)34-26(35)20-14-19-10-11-31-25(19)33-15-20/h1-3,6,9-16,22H,4-5,7-8H2,(H,31,33)(H,34,35)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143368 (US9682953, 20.A-8) Show SMILES FC(F)(F)c1n[nH]cc1C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(4.89,2.47,;6.35,2.95,;6.67,4.45,;6.03,1.44,;7.5,1.92,;9,2.24,;9.77,.9,;8.74,-.24,;7.34,.38,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C24H20F6N4O2/c25-23(26,27)16-6-9-20(31-12-16)36-18-3-1-2-15(11-18)10-14-4-7-17(8-5-14)33-22(35)19-13-32-34-21(19)24(28,29)30/h1-3,6,9-13,17H,4-5,7-8H2,(H,32,34)(H,33,35)/b14-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143366 (US9682953, 20.A-6) Show SMILES Cc1cc(cnc1N)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,-.38,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;10,1.93,;11.34,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C26H25F3N4O2/c1-16-11-19(14-32-24(16)30)25(34)33-21-8-5-17(6-9-21)12-18-3-2-4-22(13-18)35-23-10-7-20(15-31-23)26(27,28)29/h2-4,7,10-15,21H,5-6,8-9H2,1H3,(H2,30,32)(H,33,34)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143361 (US9682953, 20.A-4) Show SMILES Nc1ccc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,2.69,;10,1.93,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C25H23F3N4O2/c26-25(27,28)19-7-11-23(31-15-19)34-21-3-1-2-17(13-21)12-16-4-8-20(9-5-16)32-24(33)18-6-10-22(29)30-14-18/h1-3,6-7,10-15,20H,4-5,8-9H2,(H2,29,30)(H,32,33)/b16-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143291 (US9682953, 2.E-27) Show SMILES Cc1nc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cnc(N)nc3)c2)ccc1Cl |(-11.06,-6.22,;-9.72,-5.45,;-8.39,-6.22,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;8.95,-3.91,;10.28,-3.14,;10.28,-1.6,;11.61,-.83,;8.95,-.83,;7.61,-1.6,;-3.06,-6.22,;-7.06,-3.91,;-8.39,-3.14,;-9.72,-3.91,;-11.06,-3.14,)| Show InChI InChI=1S/C24H24ClN5O2/c1-15-21(25)9-10-22(29-15)32-20-4-2-3-17(12-20)11-16-5-7-19(8-6-16)30-23(31)18-13-27-24(26)28-14-18/h2-4,9-14,19H,5-8H2,1H3,(H,30,31)(H2,26,27,28)/b16-11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143274 (US9682953, 2.C-6) Show SMILES Nc1ncc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.61,-.83,;10.28,-1.6,;10.28,-3.14,;8.95,-3.91,;7.61,-3.14,;7.61,-1.6,;8.95,-.83,;6.28,-3.91,;6.28,-5.45,;4.95,-3.14,;3.61,-3.91,;3.61,-5.45,;2.28,-6.22,;.94,-5.45,;.94,-3.91,;2.28,-3.14,;-.39,-6.22,;-1.72,-5.45,;-1.72,-3.91,;-3.06,-3.14,;-4.39,-3.91,;-4.39,-5.45,;-5.72,-6.22,;-7.06,-5.45,;-7.06,-3.91,;-8.39,-3.14,;-9.72,-3.91,;-9.72,-5.45,;-8.39,-6.22,;-11.06,-3.14,;-12.39,-3.91,;-11.06,-1.6,;-11.06,-4.68,;-3.06,-6.22,)| Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)18-6-9-21(29-14-18)34-20-3-1-2-16(11-20)10-15-4-7-19(8-5-15)32-22(33)17-12-30-23(28)31-13-17/h1-3,6,9-14,19H,4-5,7-8H2,(H,32,33)(H2,28,30,31)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143352 (US9682953, 10.1) Show SMILES CC(C)(C)OC(=O)n1nnnc1CCl Show InChI InChI=1S/C25H22ClF3N4O2/c26-23-21(30)12-17(13-32-23)24(34)33-19-7-4-15(5-8-19)10-16-2-1-3-20(11-16)35-22-9-6-18(14-31-22)25(27,28)29/h1-3,6,9-14,19H,4-5,7-8,30H2,(H,33,34)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202215 (US9233983, P-30) Show SMILES OCC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:7| Show InChI InChI=1S/C33H31FN4O5/c34-26-14-21(19-4-5-19)15-29-31(26)33(42)38(12-13-43-29)28-3-1-2-22(25(28)17-39)23-6-9-35-32-24(23)16-27(36-32)20-7-10-37(11-8-20)30(41)18-40/h1-3,6-7,9,14-16,19,39-40H,4-5,8,10-13,17-18H2,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202131 (US9233983, I-2) Show SMILES CN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1 Show InChI InChI=1S/C37H37FN6O3/c1-42-11-13-43(14-12-42)21-23-5-8-31(40-20-23)32-19-28-27(9-10-39-36(28)41-32)26-3-2-4-33(29(26)22-45)44-15-16-47-34-18-25(24-6-7-24)17-30(38)35(34)37(44)46/h2-5,8-10,17-20,24,45H,6-7,11-16,21-22H2,1H3,(H,39,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human full length BTK preincubated for 10 mins followed by Tk-biotin peptide substrate addition after 90 mins by TR-FRET as...				Bioorg Med Chem Lett 27: 1867-1873 (2017) Article DOI: 10.1016/j.bmcl.2017.02.026 BindingDB Entry DOI: 10.7270/Q2K35X74
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202199 (US9233983, P-14) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:8| Show InChI InChI=1S/C34H34FN5O4/c1-38(2)34(43)39-12-9-21(10-13-39)28-18-25-24(8-11-36-32(25)37-28)23-4-3-5-29(26(23)19-41)40-14-15-44-30-17-22(20-6-7-20)16-27(35)31(30)33(40)42/h3-5,8-9,11,16-18,20,41H,6-7,10,12-15,19H2,1-2H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human full length BTK preincubated for 10 mins followed by Tk-biotin peptide substrate addition after 90 mins by TR-FRET as...				Bioorg Med Chem Lett 27: 1867-1873 (2017) Article DOI: 10.1016/j.bmcl.2017.02.026 BindingDB Entry DOI: 10.7270/Q2K35X74
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143456 (US9682953, 20.A-21 | US9682953, 20.A-22) Show SMILES Cc1nc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cnc(N)nc3)c2)ccc1Cl |(-11.34,-2.7,;-10,-1.93,;-8.67,-2.69,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;4.67,.38,;6,-.38,;6,-1.93,;7.34,.38,;8.67,-.38,;10,.38,;10,1.93,;11.34,2.69,;8.67,2.69,;7.34,1.93,;-3.33,-2.69,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-11.34,.38,)| Show InChI InChI=1S/C24H24ClN5O2/c1-15-21(25)9-10-22(29-15)32-20-4-2-3-17(12-20)11-16-5-7-19(8-6-16)30-23(31)18-13-27-24(26)28-14-18/h2-4,9-14,19H,5-8H2,1H3,(H,30,31)(H2,26,27,28)/b16-11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202200 (US9233983, P-15) Show SMILES CC1(O)CN(C1)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:12| Show InChI InChI=1S/C36H36FN5O5/c1-36(46)19-41(20-36)35(45)40-11-8-22(9-12-40)29-17-26-25(7-10-38-33(26)39-29)24-3-2-4-30(27(24)18-43)42-13-14-47-31-16-23(21-5-6-21)15-28(37)32(31)34(42)44/h2-4,7-8,10,15-17,21,43,46H,5-6,9,11-14,18-20H2,1H3,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human full length BTK preincubated for 10 mins followed by Tk-biotin peptide substrate addition after 90 mins by TR-FRET as...				Bioorg Med Chem Lett 27: 1867-1873 (2017) Article DOI: 10.1016/j.bmcl.2017.02.026 BindingDB Entry DOI: 10.7270/Q2K35X74
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202220 (US9233983, Q-3) Show SMILES OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)-c1ccc(OC2CCN(CC2)C2COC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 Show InChI InChI=1S/C39H37F2N5O5/c40-24-15-29(31(19-47)35(16-24)46-11-12-50-36-14-23(22-1-2-22)13-32(41)37(36)39(46)48)28-5-8-42-38-30(28)17-34(44-38)33-4-3-27(18-43-33)51-26-6-9-45(10-7-26)25-20-49-21-25/h3-5,8,13-18,22,25-26,47H,1-2,6-7,9-12,19-21H2,(H,42,44)	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	1.15	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14777 ((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...) Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay				Eur J Med Chem 60: 285-94 (2013) Article DOI: 10.1016/j.ejmech.2012.12.009 BindingDB Entry DOI: 10.7270/Q22F7PSZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50450836 (CHEMBL4216939) Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC#N)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20| Show InChI InChI=1S/C34H30FN5O4/c35-27-16-22(20-4-5-20)17-30-32(27)34(43)40(14-15-44-30)29-3-1-2-23(26(29)19-41)24-7-11-37-33-25(24)18-28(38-33)21-8-12-39(13-9-21)31(42)6-10-36/h1-3,7-8,11,16-18,20,41H,4-6,9,12-15,19H2,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human full length BTK preincubated for 10 mins followed by Tk-biotin peptide substrate addition after 90 mins by TR-FRET as...				Bioorg Med Chem Lett 27: 1867-1873 (2017) Article DOI: 10.1016/j.bmcl.2017.02.026 BindingDB Entry DOI: 10.7270/Q2K35X74
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202207 (US9233983, P-22) Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CCC2)CC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20| Show InChI InChI=1S/C36H36FN5O4/c37-29-17-24(22-5-6-22)18-32-34(29)36(45)42(15-16-46-32)31-4-1-3-25(28(31)21-43)26-7-10-38-35-27(26)19-30(39-35)23-8-13-40(14-9-23)20-33(44)41-11-2-12-41/h1,3-4,7-8,10,17-19,22,43H,2,5-6,9,11-16,20-21H2,(H,38,39)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202212 (US9233983, P-27) Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC#N)N1CCOc2cc(ccc2C1=O)C1CC1 |t:20| Show InChI InChI=1S/C34H31N5O4/c35-12-8-32(41)38-14-10-22(11-15-38)29-19-27-25(9-13-36-33(27)37-29)24-2-1-3-30(28(24)20-40)39-16-17-43-31-18-23(21-4-5-21)6-7-26(31)34(39)42/h1-3,6-7,9-10,13,18-19,21,40H,4-5,8,11,14-17,20H2,(H,36,37)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202214 (US9233983, P-29) Show SMILES CC(O)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202201 (US9233983, P-16) Show SMILES OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:21| Show InChI InChI=1S/C34H32F2N4O4/c35-22-13-25(24-3-6-37-33-26(24)15-29(38-33)20-4-7-39(8-5-20)23-17-43-18-23)27(16-41)30(14-22)40-9-10-44-31-12-21(19-1-2-19)11-28(36)32(31)34(40)42/h3-4,6,11-15,19,23,41H,1-2,5,7-10,16-18H2,(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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202147 (US9233983, I-17) Show SMILES OCc1c(cc(F)cc1-c1ccnc2[nH]c(CN3CCN(CC3)C3COC3)cc12)N1CCOc2cc(cc(F)c2C1=O)C1CC1 Show InChI InChI=1S/C34H35F2N5O4/c35-22-13-26(25-3-4-37-33-27(25)15-23(38-33)16-39-5-7-40(8-6-39)24-18-44-19-24)28(17-42)30(14-22)41-9-10-45-31-12-21(20-1-2-20)11-29(36)32(31)34(41)43/h3-4,11-15,20,24,42H,1-2,5-10,16-19H2,(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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202208 (US9233983, P-23) Show SMILES CC(C)(O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:8| Show InChI InChI=1S/C35H37FN4O4/c1-35(2,43)20-39-12-9-22(10-13-39)29-18-26-25(8-11-37-33(26)38-29)24-4-3-5-30(27(24)19-41)40-14-15-44-31-17-23(21-6-7-21)16-28(36)32(31)34(40)42/h3-5,8-9,11,16-18,21,41,43H,6-7,10,12-15,19-20H2,1-2H3,(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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202208 (US9233983, P-23) Show SMILES CC(C)(O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:8| Show InChI InChI=1S/C35H37FN4O4/c1-35(2,43)20-39-12-9-22(10-13-39)29-18-26-25(8-11-37-33(26)38-29)24-4-3-5-30(27(24)19-41)40-14-15-44-31-17-23(21-6-7-21)16-28(36)32(31)34(40)42/h3-5,8-9,11,16-18,21,41,43H,6-7,10,12-15,19-20H2,1-2H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human full length BTK preincubated for 10 mins followed by Tk-biotin peptide substrate addition after 90 mins by TR-FRET as...				Bioorg Med Chem Lett 27: 1867-1873 (2017) Article DOI: 10.1016/j.bmcl.2017.02.026 BindingDB Entry DOI: 10.7270/Q2K35X74
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202144 (US9233983, I-15) Show SMILES CN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1=O Show InChI InChI=1S/C37H35FN6O4/c1-42-11-12-43(20-34(42)46)19-22-5-8-30(40-18-22)31-17-27-26(9-10-39-36(27)41-31)25-3-2-4-32(28(25)21-45)44-13-14-48-33-16-24(23-6-7-23)15-29(38)35(33)37(44)47/h2-5,8-10,15-18,23,45H,6-7,11-14,19-21H2,1H3,(H,39,41)	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202223 (US9233983, R-2) Show SMILES CCN1CC(C1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:10| Show InChI InChI=1S/C36H38FN5O3/c1-2-40-19-25(20-40)41-12-9-23(10-13-41)31-18-28-27(8-11-38-35(28)39-31)26-4-3-5-32(29(26)21-43)42-14-15-45-33-17-24(22-6-7-22)16-30(37)34(33)36(42)44/h3-5,8-9,11,16-18,22,25,43H,2,6-7,10,12-15,19-21H2,1H3,(H,38,39)	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202145 (US9233983, I-16) Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC(F)(F)F)CC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 Show InChI InChI=1S/C38H36F4N6O3/c39-30-16-25(24-5-6-24)17-34-35(30)37(50)48(14-15-51-34)33-3-1-2-26(29(33)21-49)27-8-9-43-36-28(27)18-32(45-36)31-7-4-23(19-44-31)20-46-10-12-47(13-11-46)22-38(40,41)42/h1-4,7-9,16-19,24,49H,5-6,10-15,20-22H2,(H,43,45)	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202225 (US9233983, R-4) Show SMILES CN1CC(C1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:9| Show InChI InChI=1S/C35H36FN5O3/c1-39-18-24(19-39)40-11-8-22(9-12-40)30-17-27-26(7-10-37-34(27)38-30)25-3-2-4-31(28(25)20-42)41-13-14-44-32-16-23(21-5-6-21)15-29(36)33(32)35(41)43/h2-4,7-8,10,15-17,21,24,42H,5-6,9,11-14,18-20H2,1H3,(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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202203 (US9233983, P-18) Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCOCC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20| Show InChI InChI=1S/C36H36FN5O5/c37-29-18-24(22-4-5-22)19-32-33(29)35(44)42(14-17-47-32)31-3-1-2-25(28(31)21-43)26-6-9-38-34-27(26)20-30(39-34)23-7-10-40(11-8-23)36(45)41-12-15-46-16-13-41/h1-3,6-7,9,18-20,22,43H,4-5,8,10-17,21H2,(H,38,39)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202122 (US9233983, D-14) Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 Show InChI InChI=1S/C37H37FN6O4/c38-31-14-23(22-4-5-22)15-34-35(31)37(46)43(12-13-48-34)33-3-1-2-27(30(33)19-45)28-6-9-39-36-29(28)16-32(41-36)24-17-40-44(18-24)25-7-10-42(11-8-25)26-20-47-21-26/h1-3,6,9,14-18,22,25-26,45H,4-5,7-8,10-13,19-21H2,(H,39,41)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202143 (US9233983, I-14) Show SMILES CC1CN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC(C)N1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143375 (US9682953, 20.A-11 | US9682953, 20.A-12) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cn[nH]c3)c2)nc1 |(-12.67,-.39,;-11.34,.38,;-11.34,1.93,;-11.34,-1.16,;-10,-.38,;-8.67,.38,;-7.34,-.38,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;4.67,.38,;6,-.38,;6,-1.93,;7.34,.39,;7.5,1.92,;9,2.24,;9.77,.9,;8.74,-.24,;-3.33,-2.69,;-8.67,-2.69,;-10,-1.93,)| Show InChI InChI=1S/C23H21F3N4O2/c24-23(25,26)18-6-9-21(27-14-18)32-20-3-1-2-16(11-20)10-15-4-7-19(8-5-15)30-22(31)17-12-28-29-13-17/h1-3,6,9-14,19H,4-5,7-8H2,(H,28,29)(H,30,31)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202122 (US9233983, D-14) Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 Show InChI InChI=1S/C37H37FN6O4/c38-31-14-23(22-4-5-22)15-34-35(31)37(46)43(12-13-48-34)33-3-1-2-27(30(33)19-45)28-6-9-39-36-29(28)16-32(41-36)24-17-40-44(18-24)25-7-10-42(11-8-25)26-20-47-21-26/h1-3,6,9,14-18,22,25-26,45H,4-5,7-8,10-13,19-21H2,(H,39,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human full length BTK preincubated for 10 mins followed by Tk-biotin peptide substrate addition after 90 mins by TR-FRET as...				Bioorg Med Chem Lett 27: 1867-1873 (2017) Article DOI: 10.1016/j.bmcl.2017.02.026 BindingDB Entry DOI: 10.7270/Q2K35X74
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202148 (US9233983, I-18) Show SMILES OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC(F)(F)F)CC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 Show InChI InChI=1S/C38H35F5N6O3/c39-25-15-27(29(20-50)33(16-25)49-11-12-52-34-14-24(23-2-3-23)13-30(40)35(34)37(49)51)26-5-6-44-36-28(26)17-32(46-36)31-4-1-22(18-45-31)19-47-7-9-48(10-8-47)21-38(41,42)43/h1,4-6,13-18,23,50H,2-3,7-12,19-21H2,(H,44,46)	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143265 (US9682953, 2.B-13) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3ccc(nc3)-n3cnnc3)c2)nc1 |(-12.39,-3.91,;-11.06,-3.14,;-11.06,-1.6,;-11.06,-4.68,;-9.72,-3.91,;-8.39,-3.14,;-7.06,-3.91,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;7.61,-1.6,;8.95,-.83,;10.28,-1.6,;10.28,-3.14,;8.95,-3.91,;11.61,-.83,;13.02,-1.45,;14.05,-.31,;13.28,1.02,;11.77,.7,;-3.06,-6.22,;-8.39,-6.22,;-9.72,-5.45,)| Show InChI InChI=1S/C27H23F3N6O2/c28-27(29,30)21-7-11-25(32-15-21)38-23-3-1-2-19(13-23)12-18-4-8-22(9-5-18)35-26(37)20-6-10-24(31-14-20)36-16-33-34-17-36/h1-3,6-7,10-17,22H,4-5,8-9H2,(H,35,37)/b18-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202189 (US9233983, P-5) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO |c:8| Show InChI InChI=1S/C34H35N5O4/c1-37(2)34(42)38-14-11-22(12-15-38)29-19-27-25(10-13-35-32(27)36-29)24-4-3-5-30(28(24)20-40)39-16-17-43-31-18-23(21-6-7-21)8-9-26(31)33(39)41/h3-5,8-11,13,18-19,21,40H,6-7,12,14-17,20H2,1-2H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202174 (US9233983, K-22) Show SMILES NC(=O)c1ccc(nc1)-c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO Show InChI InChI=1S/C32H27N5O4/c33-30(39)20-7-9-26(35-16-20)27-15-24-22(10-11-34-31(24)36-27)21-2-1-3-28(25(21)17-38)37-12-13-41-29-14-19(18-4-5-18)6-8-23(29)32(37)40/h1-3,6-11,14-16,18,38H,4-5,12-13,17H2,(H2,33,39)(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202142 (US9233983, I-13) Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC2)C2COC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 Show InChI InChI=1S/C39H39FN6O4/c40-32-16-26(25-5-6-25)17-36-37(32)39(48)46(14-15-50-36)35-3-1-2-28(31(35)21-47)29-8-9-41-38-30(29)18-34(43-38)33-7-4-24(19-42-33)20-44-10-12-45(13-11-44)27-22-49-23-27/h1-4,7-9,16-19,25,27,47H,5-6,10-15,20-23H2,(H,41,43)	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	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair

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