Compile Data Set for Download or QSAR

Found 622 hits with Last Name = 'giri' and Initial = 's'   

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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502427 (CHEMBL4542517) Show SMILES CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C1(N)CC1 |r| Show InChI InChI=1S/C28H31ClN4O3/c1-3-14-36-27(35)33-13-12-32(17-18(33)2)26(34)20-6-9-22-23(29)16-24(31-25(22)15-20)19-4-7-21(8-5-19)28(30)10-11-28/h4-9,15-16,18H,3,10-14,17,30H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Irreversible inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 5 mins followed by substrate addition and measured...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502433 (CHEMBL4575866) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C(=O)NC Show InChI InChI=1S/C26H27ClN4O4/c1-3-14-35-26(34)31-12-10-30(11-13-31)25(33)19-8-9-20-21(27)16-22(29-23(20)15-19)17-4-6-18(7-5-17)24(32)28-2/h4-9,15-16H,3,10-14H2,1-2H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Irreversible inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 5 mins followed by substrate addition and measured...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502434 (CHEMBL4551647) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C24H24ClN3O3/c1-2-14-31-24(30)28-12-10-27(11-13-28)23(29)18-8-9-19-20(25)16-21(26-22(19)15-18)17-6-4-3-5-7-17/h3-9,15-16H,2,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Irreversible inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 5 mins followed by substrate addition and measured...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50526157 (CHEMBL4550526) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1 Show InChI InChI=1S/C21H28N4O5S/c1-21(2,3)30-20(28)22-15-9-7-8-14(12-15)16-13-31-19(23-16)24-17(26)10-5-4-6-11-18(27)25-29/h7-9,12-13,29H,4-6,10-11H2,1-3H3,(H,22,28)(H,25,27)(H,23,24,26)	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	<0.170	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077 BindingDB Entry DOI: 10.7270/Q2K93BZT
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50526161 (CHEMBL4464421) Show SMILES CCOC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1 Show InChI InChI=1S/C19H24N4O5S/c1-2-28-19(26)20-14-8-6-7-13(11-14)15-12-29-18(21-15)22-16(24)9-4-3-5-10-17(25)23-27/h6-8,11-12,27H,2-5,9-10H2,1H3,(H,20,26)(H,23,25)(H,21,22,24)	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	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077 BindingDB Entry DOI: 10.7270/Q2K93BZT
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26023 (4-({2-[(4-bromophenyl)(methyl)amino]-1H-1,3-benzod...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1 Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-16(9-10-24-18)29-15-7-8-19-17(11-15)26-21(27(19)2)25-14-5-3-13(22)4-6-14/h3-12H,1-2H3,(H,23,28)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway 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 Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26034 (4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...) Show SMILES Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(N)=O)ccc12 Show InChI InChI=1S/C20H16BrN5O2/c1-26-18-7-6-14(28-15-8-9-23-17(11-15)19(22)27)10-16(18)25-20(26)24-13-4-2-12(21)3-5-13/h2-11H,1H3,(H2,22,27)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50526161 (CHEMBL4464421) Show SMILES CCOC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1 Show InChI InChI=1S/C19H24N4O5S/c1-2-28-19(26)20-14-8-6-7-13(11-14)15-12-29-18(21-15)22-16(24)9-4-3-5-10-17(25)23-27/h6-8,11-12,27H,2-5,9-10H2,1H3,(H,20,26)(H,23,25)(H,21,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077 BindingDB Entry DOI: 10.7270/Q2K93BZT
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50526157 (CHEMBL4550526) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1 Show InChI InChI=1S/C21H28N4O5S/c1-21(2,3)30-20(28)22-15-9-7-8-14(12-15)16-13-31-19(23-16)24-17(26)10-5-4-6-11-18(27)25-29/h7-9,12-13,29H,4-6,10-11H2,1-3H3,(H,22,28)(H,25,27)(H,23,24,26)	PDB 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
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077 BindingDB Entry DOI: 10.7270/Q2K93BZT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26023 (4-({2-[(4-bromophenyl)(methyl)amino]-1H-1,3-benzod...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1 Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-16(9-10-24-18)29-15-7-8-19-17(11-15)26-21(27(19)2)25-14-5-3-13(22)4-6-14/h3-12H,1-2H3,(H,23,28)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547958 (CHEMBL4789918) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCCC(F)C1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50526156 (CHEMBL1630208 | WR301861) Show SMILES Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1 Show InChI InChI=1S/C16H20N4O3S/c17-12-6-4-5-11(9-12)13-10-24-16(18-13)19-14(21)7-2-1-3-8-15(22)20-23/h4-6,9-10,23H,1-3,7-8,17H2,(H,20,22)(H,18,19,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077 BindingDB Entry DOI: 10.7270/Q2K93BZT
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50526161 (CHEMBL4464421) Show SMILES CCOC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1 Show InChI InChI=1S/C19H24N4O5S/c1-2-28-19(26)20-14-8-6-7-13(11-14)15-12-29-18(21-15)22-16(24)9-4-3-5-10-17(25)23-27/h6-8,11-12,27H,2-5,9-10H2,1H3,(H,20,26)(H,23,25)(H,21,22,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC10 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077 BindingDB Entry DOI: 10.7270/Q2K93BZT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50526161 (CHEMBL4464421) Show SMILES CCOC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1 Show InChI InChI=1S/C19H24N4O5S/c1-2-28-19(26)20-14-8-6-7-13(11-14)15-12-29-18(21-15)22-16(24)9-4-3-5-10-17(25)23-27/h6-8,11-12,27H,2-5,9-10H2,1H3,(H,20,26)(H,23,25)(H,21,22,24)	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077 BindingDB Entry DOI: 10.7270/Q2K93BZT
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547947 (CHEMBL4760206) Show SMILES O=C(Nc1cc2oc(nc2cc1N1CCCCC1)N1CCOCC1)c1cccc(n1)-c1cn[nH]c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547949 (CHEMBL4743091) Show SMILES Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50526156 (CHEMBL1630208 | WR301861) Show SMILES Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1 Show InChI InChI=1S/C16H20N4O3S/c17-12-6-4-5-11(9-12)13-10-24-16(18-13)19-14(21)7-2-1-3-8-15(22)20-23/h4-6,9-10,23H,1-3,7-8,17H2,(H,20,22)(H,18,19,21)	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077 BindingDB Entry DOI: 10.7270/Q2K93BZT
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547959 (CHEMBL4750630) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCC(O)CC1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547962 (CHEMBL4784665) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCC(F)CC1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547955 (CHEMBL4796558) Show SMILES O[C@H]1CCN(C1)c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50526156 (CHEMBL1630208 | WR301861) Show SMILES Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1 Show InChI InChI=1S/C16H20N4O3S/c17-12-6-4-5-11(9-12)13-10-24-16(18-13)19-14(21)7-2-1-3-8-15(22)20-23/h4-6,9-10,23H,1-3,7-8,17H2,(H,20,22)(H,18,19,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC10 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077 BindingDB Entry DOI: 10.7270/Q2K93BZT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50526156 (CHEMBL1630208 | WR301861) Show SMILES Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1 Show InChI InChI=1S/C16H20N4O3S/c17-12-6-4-5-11(9-12)13-10-24-16(18-13)19-14(21)7-2-1-3-8-15(22)20-23/h4-6,9-10,23H,1-3,7-8,17H2,(H,20,22)(H,18,19,21)	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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077 BindingDB Entry DOI: 10.7270/Q2K93BZT
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26028 (4-({2-[(3-tert-butylphenyl)(methyl)amino]-1H-1,3-b...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C25H27N5O2/c1-25(2,3)16-7-6-8-17(13-16)28-24-29-20-14-18(9-10-22(20)30(24)5)32-19-11-12-27-21(15-19)23(31)26-4/h6-15H,1-5H3,(H,26,31)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26037 (4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...) Show SMILES Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(=O)NCCO)ccc12 Show InChI InChI=1S/C22H20BrN5O3/c1-28-20-7-6-16(31-17-8-9-24-19(13-17)21(30)25-10-11-29)12-18(20)27-22(28)26-15-4-2-14(23)3-5-15/h2-9,12-13,29H,10-11H2,1H3,(H,25,30)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26022 (4-({2-[(3-bromophenyl)(methyl)amino]-1H-1,3-benzod...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(Br)c4)nc3c2)ccn1 Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-16(8-9-24-18)29-15-6-7-19-17(11-15)26-21(27(19)2)25-14-5-3-4-13(22)10-14/h3-12H,1-2H3,(H,23,28)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50526157 (CHEMBL4550526) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1 Show InChI InChI=1S/C21H28N4O5S/c1-21(2,3)30-20(28)22-15-9-7-8-14(12-15)16-13-31-19(23-16)24-17(26)10-5-4-6-11-18(27)25-29/h7-9,12-13,29H,4-6,10-11H2,1-3H3,(H,22,28)(H,25,27)(H,23,24,26)	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077 BindingDB Entry DOI: 10.7270/Q2K93BZT
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547954 (CHEMBL4763990) Show SMILES COc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547953 (CHEMBL4790506) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50526157 (CHEMBL4550526) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)NO)n1 Show InChI InChI=1S/C21H28N4O5S/c1-21(2,3)30-20(28)22-15-9-7-8-14(12-15)16-13-31-19(23-16)24-17(26)10-5-4-6-11-18(27)25-29/h7-9,12-13,29H,4-6,10-11H2,1-3H3,(H,22,28)(H,25,27)(H,23,24,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC10 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077 BindingDB Entry DOI: 10.7270/Q2K93BZT
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26025 (N-methyl-4-[(2-{methyl[3-(trifluoromethyl)phenyl]a...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H18F3N5O2/c1-26-20(31)18-12-16(8-9-27-18)32-15-6-7-19-17(11-15)29-21(30(19)2)28-14-5-3-4-13(10-14)22(23,24)25/h3-12H,1-2H3,(H,26,31)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547961 (CHEMBL4777409) Show SMILES CCC1(O)CCCN(C1)c1nc2nc(oc2cc1NC(=O)c1coc(n1)-c1ccnc(C)c1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26038 (4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...) Show SMILES CCCC1CCCCN1NC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1 Show InChI InChI=1S/C28H31BrN6O2/c1-3-6-21-7-4-5-16-35(21)33-27(36)25-18-23(14-15-30-25)37-22-12-13-26-24(17-22)32-28(34(26)2)31-20-10-8-19(29)9-11-20/h8-15,17-18,21H,3-7,16H2,1-2H3,(H,31,32)(H,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547946 (CHEMBL4757687) Show SMILES Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1cc2oc(nc2cc1N1CCCCC1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26017 (4-({2-[(3-tert-butylphenyl)amino]-1H-1,3-benzodiaz...) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(c4)C(C)(C)C)[nH]c3c2)ccn1 Show InChI InChI=1S/C24H25N5O2/c1-24(2,3)15-6-5-7-16(12-15)27-23-28-19-9-8-17(13-20(19)29-23)31-18-10-11-26-21(14-18)22(30)25-4/h5-14H,1-4H3,(H,25,30)(H2,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26025 (N-methyl-4-[(2-{methyl[3-(trifluoromethyl)phenyl]a...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H18F3N5O2/c1-26-20(31)18-12-16(8-9-27-18)32-15-6-7-19-17(11-15)29-21(30(19)2)28-14-5-3-4-13(10-14)22(23,24)25/h3-12H,1-2H3,(H,26,31)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375523 (4-(6-(4-(4-(dimethylamino)piperidine-1-carbonyl)ph...) Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C27H26N6O/c1-31(2)23-13-15-32(16-14-23)27(34)22-9-7-20(8-10-22)24-11-12-26-29-18-25(33(26)30-24)21-5-3-19(17-28)4-6-21/h3-12,18,23H,13-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...				J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26026 (N-methyl-4-[(2-{methyl[4-(trifluoromethyl)phenyl]a...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(cc4)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H18F3N5O2/c1-26-20(31)18-12-16(9-10-27-18)32-15-7-8-19-17(11-15)29-21(30(19)2)28-14-5-3-13(4-6-14)22(23,24)25/h3-12H,1-2H3,(H,26,31)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547963 (CHEMBL4757349) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](F)C1)N1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26029 (4-({2-[(4-tert-butylphenyl)(methyl)amino]-1H-1,3-b...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(cc4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C25H27N5O2/c1-25(2,3)16-6-8-17(9-7-16)28-24-29-20-14-18(10-11-22(20)30(24)5)32-19-12-13-27-21(15-19)23(31)26-4/h6-15H,1-5H3,(H,26,31)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26021 (4-({2-[(2-bromophenyl)(methyl)amino]-1H-1,3-benzod...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccccc4Br)nc3c2)ccn1 Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-14(9-10-24-18)29-13-7-8-19-17(11-13)26-21(27(19)2)25-16-6-4-3-5-15(16)22/h3-12H,1-2H3,(H,23,28)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547948 (CHEMBL4742305) Show SMILES O=C(Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1)c1cccc(n1)-c1cn[nH]c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26032 (N-methyl-4-[(2-{methyl[3-(pyridin-4-yl)phenyl]amin...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)-c4ccncc4)nc3c2)ccn1 Show InChI InChI=1S/C26H22N6O2/c1-27-25(33)23-16-21(10-13-29-23)34-20-6-7-24-22(15-20)31-26(32(24)2)30-19-5-3-4-18(14-19)17-8-11-28-12-9-17/h3-16H,1-2H3,(H,27,33)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate NZL1) (HCV))	BDBM103282 (US8546389, 4) Show SMILES CNC(=O)c1n(nc2cc(N(CCCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H25BrN4O4S/c1-24-22(29)21-18-12-17(14-4-5-14)20(26(10-3-11-28)32(2,30)31)13-19(18)25-27(21)16-8-6-15(23)7-9-16/h6-9,12-14,28H,3-5,10-11H2,1-2H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Biota Scientific Management Pty Ltd. US Patent					Assay Description HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified mothod of Howe et al., Antimicrobial Agents and Chemothe...				US Patent US8546389 (2013) BindingDB Entry DOI: 10.7270/Q2DZ06XK
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375523 (4-(6-(4-(4-(dimethylamino)piperidine-1-carbonyl)ph...) Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C27H26N6O/c1-31(2)23-13-15-32(16-14-23)27(34)22-9-7-20(8-10-22)24-11-12-26-29-18-25(33(26)30-24)21-5-3-19(17-28)4-6-21/h3-12,18,23H,13-16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat...				J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26037 (4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...) Show SMILES Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(=O)NCCO)ccc12 Show InChI InChI=1S/C22H20BrN5O3/c1-28-20-7-6-16(31-17-8-9-24-19(13-17)21(30)25-10-11-29)12-18(20)27-22(28)26-15-4-2-14(23)3-5-15/h2-9,12-13,29H,10-11H2,1H3,(H,25,30)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547950 (CHEMBL4748475) Show SMILES Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26016 (N-methyl-4-[(2-{[4-(trifluoromethyl)phenyl]amino}-...) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(cc4)C(F)(F)F)[nH]c3c2)ccn1 Show InChI InChI=1S/C21H16F3N5O2/c1-25-19(30)18-11-15(8-9-26-18)31-14-6-7-16-17(10-14)29-20(28-16)27-13-4-2-12(3-5-13)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502427 (CHEMBL4542517) Show SMILES CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C1(N)CC1 |r| Show InChI InChI=1S/C28H31ClN4O3/c1-3-14-36-27(35)33-13-12-32(17-18(33)2)26(34)20-6-9-22-23(29)16-24(31-25(22)15-20)19-4-7-21(8-5-19)28(30)10-11-28/h4-9,15-16,18H,3,10-14,17,30H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 622 total )  |  Next  |  Last  >>

Jump to: