Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'treon' and Initial = 'sp'   

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 HCK (Homo sapiens (Human))	BDBM473750 (US10844077, Compound I-7) Show SMILES Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(NC3CCCCN(C3)C(=O)C=C)n2)s1 Show InChI InChI=1S/C25H29N7O2S/c1-4-21(33)32-13-6-5-10-18(15-32)28-24-26-12-11-20(29-24)30-25-27-14-19(35-25)23(34)31-22-16(2)8-7-9-17(22)3/h4,7-9,11-12,14,18H,1,5-6,10,13,15H2,2-3H3,(H,31,34)(H2,26,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.495	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM473766 (US10844077, Compound I-9) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1nccc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2C)n1 |r| Show InChI InChI=1S/C23H27N7O2S/c1-4-19(31)30-11-9-16(13-30)26-22-24-10-8-18(27-22)28-23-25-12-17(33-23)21(32)29-20-14(2)6-5-7-15(20)3/h5-8,10,12,16H,4,9,11,13H2,1-3H3,(H,29,32)(H2,24,25,26,27,28)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.495	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM473764 (US10844077, Compound II-2) Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccn(CC3CCCN(C3)C(=O)C=C)n2)s1 Show InChI InChI=1S/C23H25ClN6O2S/c1-3-20(31)29-10-5-7-16(13-29)14-30-11-9-19(28-30)26-23-25-12-18(33-23)22(32)27-21-15(2)6-4-8-17(21)24/h3-4,6,8-9,11-12,16H,1,5,7,10,13-14H2,2H3,(H,27,32)(H,25,26,28)	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	<0.495	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM473751 (US10844077, Compound I-8) Show SMILES Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(NCC3CCN(C3)C(=O)C=C)n2)s1 Show InChI InChI=1S/C24H27N7O2S/c1-4-20(32)31-11-9-17(14-31)12-26-23-25-10-8-19(28-23)29-24-27-13-18(34-24)22(33)30-21-15(2)6-5-7-16(21)3/h4-8,10,13,17H,1,9,11-12,14H2,2-3H3,(H,30,33)(H2,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.495	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM473751 (US10844077, Compound I-8) Show SMILES Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(NCC3CCN(C3)C(=O)C=C)n2)s1 Show InChI InChI=1S/C24H27N7O2S/c1-4-20(32)31-11-9-17(14-31)12-26-23-25-10-8-19(28-23)29-24-27-13-18(34-24)22(33)30-21-15(2)6-5-7-16(21)3/h4-8,10,13,17H,1,9,11-12,14H2,2-3H3,(H,30,33)(H2,25,26,27,28,29)	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	<0.495	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM473750 (US10844077, Compound I-7) Show SMILES Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(NC3CCCCN(C3)C(=O)C=C)n2)s1 Show InChI InChI=1S/C25H29N7O2S/c1-4-21(33)32-13-6-5-10-18(15-32)28-24-26-12-11-20(29-24)30-25-27-14-19(35-25)23(34)31-22-16(2)8-7-9-17(22)3/h4,7-9,11-12,14,18H,1,5-6,10,13,15H2,2-3H3,(H,31,34)(H2,26,27,28,29,30)	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	<0.495	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM473746 (US10844077, Compound I-3) Show SMILES Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r| Show InChI InChI=1S/C23H25N7O2S/c1-4-19(31)30-11-9-16(13-30)26-22-24-10-8-18(27-22)28-23-25-12-17(33-23)21(32)29-20-14(2)6-5-7-15(20)3/h4-8,10,12,16H,1,9,11,13H2,2-3H3,(H,29,32)(H2,24,25,26,27,28)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.495	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM473766 (US10844077, Compound I-9) Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1nccc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2C)n1 |r| Show InChI InChI=1S/C23H27N7O2S/c1-4-19(31)30-11-9-16(13-30)26-22-24-10-8-18(27-22)28-23-25-12-17(33-23)21(32)29-20-14(2)6-5-7-15(20)3/h5-8,10,12,16H,4,9,11,13H2,1-3H3,(H,29,32)(H2,24,25,26,27,28)/t16-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM473749 (US10844077, Compound I-4) Show SMILES Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(N[C@@H]3CCN(C3)C(=O)C=C)n2)s1 |r| Show InChI InChI=1S/C23H25N7O2S/c1-4-19(31)30-11-9-16(13-30)26-22-24-10-8-18(27-22)28-23-25-12-17(33-23)21(32)29-20-14(2)6-5-7-15(20)3/h4-8,10,12,16H,1,9,11,13H2,2-3H3,(H,29,32)(H2,24,25,26,27,28)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM473701 (US10844077, Compound I-1) Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(CN3CCOCC3)nc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r| Show InChI InChI=1S/C27H31ClN8O3S/c1-3-23(37)36-8-7-18(16-36)30-26-31-19(15-35-9-11-39-12-10-35)13-22(32-26)33-27-29-14-21(40-27)25(38)34-24-17(2)5-4-6-20(24)28/h3-6,13-14,18H,1,7-12,15-16H2,2H3,(H,34,38)(H2,29,30,31,32,33)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM473746 (US10844077, Compound I-3) Show SMILES Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r| Show InChI InChI=1S/C23H25N7O2S/c1-4-19(31)30-11-9-16(13-30)26-22-24-10-8-18(27-22)28-23-25-12-17(33-23)21(32)29-20-14(2)6-5-7-15(20)3/h4-8,10,12,16H,1,9,11,13H2,2-3H3,(H,29,32)(H2,24,25,26,27,28)/t16-/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM473748 (US10844077, Compound I-2) Show SMILES Cc1cccc(C)c1NC(=O)c1cnc(Nc2cc(CN3CCOCC3)nc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r| Show InChI InChI=1S/C28H34N8O3S/c1-4-24(37)36-9-8-20(17-36)30-27-31-21(16-35-10-12-39-13-11-35)14-23(32-27)33-28-29-15-22(40-28)26(38)34-25-18(2)6-5-7-19(25)3/h4-7,14-15,20H,1,8-13,16-17H2,2-3H3,(H,34,38)(H2,29,30,31,32,33)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM86632 (JNK-IN-7) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type human partial length JNK3 (V28 to Q422 residues) expressed in mammalian expression system by Kinomescan method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00378 BindingDB Entry DOI: 10.7270/Q2N01B75
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM473763 (US10844077, Compound II-1) Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccn(CC3CCN(C3)C(=O)C=C)n2)s1 Show InChI InChI=1S/C22H23ClN6O2S/c1-3-19(30)28-9-7-15(12-28)13-29-10-8-18(27-29)25-22-24-11-17(32-22)21(31)26-20-14(2)5-4-6-16(20)23/h3-6,8,10-11,15H,1,7,9,12-13H2,2H3,(H,26,31)(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM473749 (US10844077, Compound I-4) Show SMILES Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(N[C@@H]3CCN(C3)C(=O)C=C)n2)s1 |r| Show InChI InChI=1S/C23H25N7O2S/c1-4-19(31)30-11-9-16(13-30)26-22-24-10-8-18(27-22)28-23-25-12-17(33-23)21(32)29-20-14(2)6-5-7-15(20)3/h4-8,10,12,16H,1,9,11,13H2,2-3H3,(H,29,32)(H2,24,25,26,27,28)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.38	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM86632 (JNK-IN-7) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type human full length JNK1 (M1 to Q384 residues) expressed in mammalian expression system by Kinomescan method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00378 BindingDB Entry DOI: 10.7270/Q2N01B75
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM473701 (US10844077, Compound I-1) Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(CN3CCOCC3)nc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r| Show InChI InChI=1S/C27H31ClN8O3S/c1-3-23(37)36-8-7-18(16-36)30-26-31-19(15-35-9-11-39-12-10-35)13-22(32-26)33-27-29-14-21(40-27)25(38)34-24-17(2)5-4-6-20(24)28/h3-6,13-14,18H,1,7-12,15-16H2,2H3,(H,34,38)(H2,29,30,31,32,33)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.61	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM473748 (US10844077, Compound I-2) Show SMILES Cc1cccc(C)c1NC(=O)c1cnc(Nc2cc(CN3CCOCC3)nc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r| Show InChI InChI=1S/C28H34N8O3S/c1-4-24(37)36-9-8-20(17-36)30-27-31-21(16-35-10-12-39-13-11-35)14-23(32-27)33-28-29-15-22(40-28)26(38)34-25-18(2)6-5-7-19(25)3/h4-7,14-15,20H,1,8-13,16-17H2,2-3H3,(H,34,38)(H2,29,30,31,32,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.63	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM473763 (US10844077, Compound II-1) Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccn(CC3CCN(C3)C(=O)C=C)n2)s1 Show InChI InChI=1S/C22H23ClN6O2S/c1-3-19(30)28-9-7-15(12-28)13-29-10-8-18(27-29)25-22-24-11-17(32-22)21(31)26-20-14(2)5-4-6-16(20)23/h3-6,8,10-11,15H,1,7,9,12-13H2,2H3,(H,26,31)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.64	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM473752 (US10844077, Compound I-10) Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccnc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r| Show InChI InChI=1S/C22H22ClN7O2S/c1-3-18(31)30-10-8-14(12-30)26-21-24-9-7-17(27-21)28-22-25-11-16(33-22)20(32)29-19-13(2)5-4-6-15(19)23/h3-7,9,11,14H,1,8,10,12H2,2H3,(H,29,32)(H2,24,25,26,27,28)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.74	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM473747 (US10844077, Compound I-6) Show SMILES Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(N[C@@H]3CCCN(C3)C(=O)C=C)n2)s1 |r| Show InChI InChI=1S/C24H27N7O2S/c1-4-20(32)31-12-6-9-17(14-31)27-23-25-11-10-19(28-23)29-24-26-13-18(34-24)22(33)30-21-15(2)7-5-8-16(21)3/h4-5,7-8,10-11,13,17H,1,6,9,12,14H2,2-3H3,(H,30,33)(H2,25,26,27,28,29)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM473764 (US10844077, Compound II-2) Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccn(CC3CCCN(C3)C(=O)C=C)n2)s1 Show InChI InChI=1S/C23H25ClN6O2S/c1-3-20(31)29-10-5-7-16(13-29)14-30-11-9-19(28-30)26-23-25-12-18(33-23)22(32)27-21-15(2)6-4-8-17(21)24/h3-4,6,8-9,11-12,16H,1,5,7,10,13-14H2,2H3,(H,27,32)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.94	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM86632 (JNK-IN-7) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type human full length JNK2 (M1 to Q382 residues) expressed in mammalian expression system by Kinomescan method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00378 BindingDB Entry DOI: 10.7270/Q2N01B75
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM473752 (US10844077, Compound I-10) Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccnc(N[C@H]3CCN(C3)C(=O)C=C)n2)s1 |r| Show InChI InChI=1S/C22H22ClN7O2S/c1-3-18(31)30-10-8-14(12-30)26-21-24-9-7-17(27-21)28-22-25-11-16(33-22)20(32)29-19-13(2)5-4-6-15(19)23/h3-7,9,11,14H,1,8,10,12H2,2H3,(H,29,32)(H2,24,25,26,27,28)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.42	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM163700 (N-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(triflu...) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cnn(C)c4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C32H34F3N7O2/c1-4-41-9-11-42(12-10-41)20-23-7-8-27(15-28(23)32(33,34)35)38-30(43)22-6-5-21(2)29(14-22)39-31(44)25-13-24(16-36-17-25)26-18-37-40(3)19-26/h5-8,13-19H,4,9-12,20H2,1-3H3,(H,38,43)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.43	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				US Patent US10597387 (2020) BindingDB Entry DOI: 10.7270/Q2ZC85X9
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM375312 (US9908872, Compound (I-9)) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cnn(C)c3)c2)CC1 Show InChI InChI=1S/C32H34F3N7O2/c1-4-41-9-11-42(12-10-41)20-23-7-6-22(14-28(23)32(33,34)35)30(43)38-27-8-5-21(2)29(15-27)39-31(44)25-13-24(16-36-17-25)26-18-37-40(3)19-26/h5-8,13-19H,4,9-12,20H2,1-3H3,(H,38,43)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.43	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2668GH3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM473753 (US10844077, Compound I-11) Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccnc(NC3CCCCN(C3)C(=O)C=C)n2)s1 Show InChI InChI=1S/C24H26ClN7O2S/c1-3-20(33)32-12-5-4-8-16(14-32)28-23-26-11-10-19(29-23)30-24-27-13-18(35-24)22(34)31-21-15(2)7-6-9-17(21)25/h3,6-7,9-11,13,16H,1,4-5,8,12,14H2,2H3,(H,31,34)(H2,26,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.99	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM473747 (US10844077, Compound I-6) Show SMILES Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccnc(N[C@@H]3CCCN(C3)C(=O)C=C)n2)s1 |r| Show InChI InChI=1S/C24H27N7O2S/c1-4-20(32)31-12-6-9-17(14-31)27-23-25-11-10-19(28-23)29-24-26-13-18(34-24)22(33)30-21-15(2)7-5-8-16(21)3/h4-5,7-8,10-11,13,17H,1,6,9,12,14H2,2-3H3,(H,30,33)(H2,25,26,27,28,29)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.24	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM437992 (US10597387, Compound (I-8)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cnoc4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H31F3N6O3/c1-3-39-8-10-40(11-9-39)18-22-6-7-26(14-27(22)31(32,33)34)37-29(41)21-5-4-20(2)28(13-21)38-30(42)24-12-23(15-35-16-24)25-17-36-43-19-25/h4-7,12-17,19H,3,8-11,18H2,1-2H3,(H,37,41)(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.33	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				US Patent US10597387 (2020) BindingDB Entry DOI: 10.7270/Q2ZC85X9
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM375310 (US9908872, Compound (I-8)) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cnoc3)c2)CC1 Show InChI InChI=1S/C31H31F3N6O3/c1-3-39-8-10-40(11-9-39)18-22-6-5-21(13-27(22)31(32,33)34)29(41)37-26-7-4-20(2)28(14-26)38-30(42)24-12-23(15-35-16-24)25-17-36-43-19-25/h4-7,12-17,19H,3,8-11,18H2,1-2H3,(H,37,41)(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.33	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2668GH3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM473753 (US10844077, Compound I-11) Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccnc(NC3CCCCN(C3)C(=O)C=C)n2)s1 Show InChI InChI=1S/C24H26ClN7O2S/c1-3-20(33)32-12-5-4-8-16(14-32)28-23-26-11-10-19(29-23)30-24-27-13-18(35-24)22(34)31-21-15(2)7-6-9-17(21)25/h3,6-7,9-11,13,16H,1,4-5,8,12,14H2,2H3,(H,31,34)(H2,26,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.52	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM375276 (US10597387, Compound (I-1) | US9908872, Compound (...) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)CC1 Show InChI InChI=1S/C32H32F3N5O2S/c1-3-39-10-12-40(13-11-39)20-23-8-7-22(16-27(23)32(33,34)35)30(41)37-26-9-6-21(2)28(17-26)38-31(42)25-15-24(18-36-19-25)29-5-4-14-43-29/h4-9,14-19H,3,10-13,20H2,1-2H3,(H,37,41)(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2668GH3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM375276 (US10597387, Compound (I-1) | US9908872, Compound (...) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)CC1 Show InChI InChI=1S/C32H32F3N5O2S/c1-3-39-10-12-40(13-11-39)20-23-8-7-22(16-27(23)32(33,34)35)30(41)37-26-9-6-21(2)28(17-26)38-31(42)25-15-24(18-36-19-25)29-5-4-14-43-29/h4-9,14-19H,3,10-13,20H2,1-2H3,(H,37,41)(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				US Patent US10597387 (2020) BindingDB Entry DOI: 10.7270/Q2ZC85X9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (Homo sapiens (Human))	BDBM50561821 (CHEMBL4782804) Show SMILES C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant IRAK1 (unknown origin) by Invitrogen adapta assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00378 BindingDB Entry DOI: 10.7270/Q2N01B75
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (Homo sapiens (Human))	BDBM50373415 (CHEMBL256713) Show SMILES COc1cc(ccc1NC(=O)c1cccc(n1)-c1cc[nH]n1)N1CCOCC1 Show InChI InChI=1S/C20H21N5O3/c1-27-19-13-14(25-9-11-28-12-10-25)5-6-17(19)23-20(26)18-4-2-3-15(22-18)16-7-8-21-24-16/h2-8,13H,9-12H2,1H3,(H,21,24)(H,23,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type human partial length IRAK1 (R194 to S712 residues) expressed in mammalian expression system by Kinomescan method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00378 BindingDB Entry DOI: 10.7270/Q2N01B75
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM473758 (US10844077, Compound III-5) Show SMILES C=CC(=O)N1CCCCC(C1)Nc1nccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1 Show InChI InChI=1S/C25H25N7O2S/c1-2-22(33)32-15-7-6-8-17(16-32)27-24-26-14-13-20(29-24)30-25-28-19-11-12-21(31-23(19)35-25)34-18-9-4-3-5-10-18/h2-5,9-14,17H,1,6-8,15-16H2,(H2,26,27,28,29,30)	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	9.06	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (Homo sapiens (Human))	BDBM86632 (JNK-IN-7) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type human partial length IRAK1 (R194 to S712 residues) expressed in mammalian expression system by Kinomescan method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00378 BindingDB Entry DOI: 10.7270/Q2N01B75
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM439303 (US10633348, Compound (A-17)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H31F3N6O3/c1-4-26(39)36-25-16-27(34-18-33-25)41-24-14-20(7-6-19(24)3)28(40)35-22-9-8-21(23(15-22)29(30,31)32)17-38-12-10-37(5-2)11-13-38/h4,6-9,14-16,18H,1,5,10-13,17H2,2-3H3,(H,35,40)(H,33,34,36,39)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50373415 (CHEMBL256713) Show SMILES COc1cc(ccc1NC(=O)c1cccc(n1)-c1cc[nH]n1)N1CCOCC1 Show InChI InChI=1S/C20H21N5O3/c1-27-19-13-14(25-9-11-28-12-10-25)5-6-17(19)23-20(26)18-4-2-3-15(22-18)16-7-8-21-24-16/h2-8,13H,9-12H2,1H3,(H,21,24)(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type human partial length IRAK4 (M1 to S460 residues) expressed in mammalian expression system by Kinomescan method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00378 BindingDB Entry DOI: 10.7270/Q2N01B75
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM439316 (US10633348, Compound (A-12)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5ccn(C)n5)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H33F3N8O2/c1-4-40-11-13-41(14-12-40)18-22-7-8-23(16-24(22)30(31,32)33)36-29(42)21-6-5-20(2)25(15-21)43-28-17-27(34-19-35-28)37-26-9-10-39(3)38-26/h5-10,15-17,19H,4,11-14,18H2,1-3H3,(H,36,42)(H,34,35,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM473756 (US10844077, Compound III-3) Show SMILES C=CC(=O)N1CCC[C@@H](C1)Nc1nccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1 |r| Show InChI InChI=1S/C24H23N7O2S/c1-2-21(32)31-14-6-7-16(15-31)26-23-25-13-12-19(28-23)29-24-27-18-10-11-20(30-22(18)34-24)33-17-8-4-3-5-9-17/h2-5,8-13,16H,1,6-7,14-15H2,(H2,25,26,27,28,29)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM473765 (US10844077, Compound II-3) Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cnn(c2)C2CCN(CC2)C(=O)C=C)s1 Show InChI InChI=1S/C22H23ClN6O2S/c1-3-19(30)28-9-7-16(8-10-28)29-13-15(11-25-29)26-22-24-12-18(32-22)21(31)27-20-14(2)5-4-6-17(20)23/h3-6,11-13,16H,1,7-10H2,2H3,(H,24,26)(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM375281 (US10597387, Compound (I-4) | US9908872, Compound (...) Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H28F3N5O2S/c1-19-5-6-20(13-26(19)36-29(40)22-12-21(17-34-18-22)27-4-3-11-41-27)28(39)35-24-14-23(30(31,32)33)15-25(16-24)38-9-7-37(2)8-10-38/h3-6,11-18H,7-10H2,1-2H3,(H,35,39)(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.8	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				US Patent US10597387 (2020) BindingDB Entry DOI: 10.7270/Q2ZC85X9
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM375281 (US10597387, Compound (I-4) | US9908872, Compound (...) Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H28F3N5O2S/c1-19-5-6-20(13-26(19)36-29(40)22-12-21(17-34-18-22)27-4-3-11-41-27)28(39)35-24-14-23(30(31,32)33)15-25(16-24)38-9-7-37(2)8-10-38/h3-6,11-18H,7-10H2,1-2H3,(H,35,39)(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.8	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2668GH3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM375276 (US10597387, Compound (I-1) | US9908872, Compound (...) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)CC1 Show InChI InChI=1S/C32H32F3N5O2S/c1-3-39-10-12-40(13-11-39)20-23-8-7-22(16-27(23)32(33,34)35)30(41)37-26-9-6-21(2)28(17-26)38-31(42)25-15-24(18-36-19-25)29-5-4-14-43-29/h4-9,14-19H,3,10-13,20H2,1-2H3,(H,37,41)(H,38,42)	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	22.9	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				US Patent US10597387 (2020) BindingDB Entry DOI: 10.7270/Q2ZC85X9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM375276 (US10597387, Compound (I-1) | US9908872, Compound (...) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)CC1 Show InChI InChI=1S/C32H32F3N5O2S/c1-3-39-10-12-40(13-11-39)20-23-8-7-22(16-27(23)32(33,34)35)30(41)37-26-9-6-21(2)28(17-26)38-31(42)25-15-24(18-36-19-25)29-5-4-14-43-29/h4-9,14-19H,3,10-13,20H2,1-2H3,(H,37,41)(H,38,42)	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	22.9	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2668GH3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (Homo sapiens (Human))	BDBM50561824 (CHEMBL4784448) Show SMILES C=CC(=O)Nc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)c1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant IRAK1 (unknown origin) by Invitrogen adapta assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00378 BindingDB Entry DOI: 10.7270/Q2N01B75
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM163700 (N-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(triflu...) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cnn(C)c4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C32H34F3N7O2/c1-4-41-9-11-42(12-10-41)20-23-7-8-27(15-28(23)32(33,34)35)38-30(43)22-6-5-21(2)29(14-22)39-31(44)25-13-24(16-36-17-25)26-18-37-40(3)19-26/h5-8,13-19H,4,9-12,20H2,1-3H3,(H,38,43)(H,39,44)	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	25.3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				US Patent US10597387 (2020) BindingDB Entry DOI: 10.7270/Q2ZC85X9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM375312 (US9908872, Compound (I-9)) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cnn(C)c3)c2)CC1 Show InChI InChI=1S/C32H34F3N7O2/c1-4-41-9-11-42(12-10-41)20-23-7-6-22(14-28(23)32(33,34)35)30(43)38-27-8-5-21(2)29(15-27)39-31(44)25-13-24(16-36-17-25)26-18-37-40(3)19-26/h5-8,13-19H,4,9-12,20H2,1-3H3,(H,38,43)(H,39,44)	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	25.3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2668GH3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM473765 (US10844077, Compound II-3) Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cnn(c2)C2CCN(CC2)C(=O)C=C)s1 Show InChI InChI=1S/C22H23ClN6O2S/c1-3-19(30)28-9-7-16(8-10-28)29-13-15(11-25-29)26-22-24-12-18(32-22)21(31)27-20-14(2)5-4-6-17(20)23/h3-6,11-13,16H,1,7-10H2,2H3,(H,24,26)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25.3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The inhibitory activities of exemplary compounds described herein against select protein kinases.				US Patent US10844077 (2020) BindingDB Entry DOI: 10.7270/Q2862KJ4
					More data for this Ligand-Target Pair

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