Compile Data Set for Download or QSAR

Found 2194 hits with Last Name = 'gobbi' and Initial = 'a'   

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
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50580084 (CHEMBL5075174) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50580083 (CHEMBL5094268) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1NC(=O)c1cccc2c(N)ncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50580082 (CHEMBL5079215) Show SMILES CN(C(=O)Nc1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C)c1cc(N)ncn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50580080 (CHEMBL5090624) Show SMILES COc1n[nH]c2ncc(NC(=O)c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)cc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50580081 (CHEMBL5094514) Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557770 (CHEMBL4780060) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50096279 (CHEMBL3577124) Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50557770 (CHEMBL4780060) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50580084 (CHEMBL5075174) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50580083 (CHEMBL5094268) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1NC(=O)c1cccc2c(N)ncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50580082 (CHEMBL5079215) Show SMILES CN(C(=O)Nc1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C)c1cc(N)ncn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50580081 (CHEMBL5094514) Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50096279 (CHEMBL3577124) Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50580080 (CHEMBL5090624) Show SMILES COc1n[nH]c2ncc(NC(=O)c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)cc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504229 (N-[2-[(2R)-2-Fluoro-3-hydroxy- 3-methyl-butyl]-6-i...) Show SMILES CC(C)Oc1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504219 ((R)-N-(6-(2,2-Difluoroethoxy)- 2-(2-fluoro-3-hydro...) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)F)cc2C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504215 (N-[6-(3-Fluorocyclobutoxy)-2- [(2R)-2-fluoro-3-hyd...) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3C[C@H](F)C3)cc2C1=O |r,wU:26.27,28.30,wD:4.4,(-7.2,.34,;-7.24,1.88,;-8.73,1.48,;-8.01,3.22,;-5.7,1.88,;-4.93,3.22,;-4.93,.55,;-3.39,.55,;-2.49,1.79,;-1.02,1.32,;.31,2.09,;1.64,1.32,;2.98,2.09,;2.98,3.63,;1.64,4.4,;4.31,4.4,;4.47,5.93,;5.98,6.25,;6.75,4.92,;8.25,4.6,;8.73,3.13,;7.7,1.99,;6.19,2.31,;5.72,3.77,;1.64,-.22,;2.98,-.99,;2.98,-2.53,;1.89,-3.62,;2.98,-4.71,;2.98,-6.25,;4.07,-3.62,;.31,-.99,;-1.02,-.22,;-2.49,-.7,;-2.96,-2.16,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504233 ((R)-N-(6-Ethoxy-2-(2-fluoro-3- hydroxy-3-methylbut...) Show SMILES CCOc1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504232 ((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-iso...) Show SMILES CC(C)Oc1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cc(C)cnc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504234 (US11034698, Example 83 | US11034698, Example 84) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3CCOC3)cc2C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504239 ((R)-N-(6-(Difluoromethoxy)-2- (2-fluoro-3-hydroxy-...) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50514930 (CHEMBL4464832) Show SMILES CN(C)c1nc2cc(N3CCC(CO)CC3)c(NC(=O)c3cnn4cccnc34)cc2s1 Show InChI InChI=1S/C22H25N7O2S/c1-27(2)22-26-17-10-18(28-8-4-14(13-30)5-9-28)16(11-19(17)32-22)25-21(31)15-12-24-29-7-3-6-23-20(15)29/h3,6-7,10-12,14,30H,4-5,8-9,13H2,1-2H3,(H,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...				J Med Chem 62: 6223-6240 (2019) Article DOI: 10.1021/acs.jmedchem.9b00439 BindingDB Entry DOI: 10.7270/Q2CC1419
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50514929 (CHEMBL4474636) Show SMILES OCC1CCN(CC1)c1cc2nc(sc2cc1NC(=O)c1cnn2cccnc12)N1CCOCC1 Show InChI InChI=1S/C24H27N7O3S/c32-15-16-2-6-29(7-3-16)20-12-19-21(35-24(28-19)30-8-10-34-11-9-30)13-18(20)27-23(33)17-14-26-31-5-1-4-25-22(17)31/h1,4-5,12-14,16,32H,2-3,6-11,15H2,(H,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...				J Med Chem 62: 6223-6240 (2019) Article DOI: 10.1021/acs.jmedchem.9b00439 BindingDB Entry DOI: 10.7270/Q2CC1419
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504218 (N-[6-(3-Chlorocyclobutoxy)-2- [(2R)-2-fluoro-3-hyd...) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3C[C@H](Cl)C3)cc2C1=O |r,wU:26.27,28.30,wD:4.4,(-7.2,.34,;-7.24,1.88,;-8.73,1.48,;-8.01,3.22,;-5.7,1.88,;-4.93,3.22,;-4.93,.55,;-3.39,.55,;-2.49,1.79,;-1.02,1.32,;.31,2.09,;1.64,1.32,;2.98,2.09,;2.98,3.63,;1.64,4.4,;4.31,4.4,;4.47,5.93,;5.98,6.25,;6.75,4.92,;8.25,4.6,;8.73,3.13,;7.7,1.99,;6.19,2.31,;5.72,3.77,;1.64,-.22,;2.98,-.99,;2.98,-2.53,;1.89,-3.62,;2.98,-4.71,;2.98,-6.25,;4.07,-3.62,;.31,-.99,;-1.02,-.22,;-2.49,-.7,;-2.96,-2.16,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504238 ((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-(ox...) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3COC3)cc2C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494431 ((R)-N-(6-cyclopropyl-2- (2-fluoro-3-hydroxy-3- met...) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)C1CC1 |r| Show InChI InChI=1S/C23H24FN5O3/c1-23(2,32)19(24)12-28-11-14-8-18(15(13-4-5-13)9-16(14)22(28)31)27-21(30)17-10-26-29-7-3-6-25-20(17)29/h3,6-10,13,19,32H,4-5,11-12H2,1-2H3,(H,27,30)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Kinase activities were assayed using the Transcreener-Fluorecescence polarization platform (BelBrook Labs, Madison, Wis., USA) that measures amounts ...				US Patent US10988478 (2021) BindingDB Entry DOI: 10.7270/Q2K077DT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504241 ((R)-N-(6-(tert-Butoxy)-2-(2- fluoro-3-hydroxy-3- m...) Show SMILES CC(C)(C)Oc1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504228 ((R)-N-(6-Cyclopropoxy-2-(2- fluoro-3-hydroxy-3- me...) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CC3)cc2C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504267 ((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-1-oxo...) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)(F)F)cc2C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494507 ((R)-N-(6- (dimethylamino)-2-(2- fluoro-3-hydroxy-3...) Show SMILES CN(C)c1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12 |r| Show InChI InChI=1S/C22H25FN6O3/c1-22(2,32)18(23)12-28-11-13-8-16(17(27(3)4)9-14(13)21(28)31)26-20(30)15-10-25-29-7-5-6-24-19(15)29/h5-10,18,32H,11-12H2,1-4H3,(H,26,30)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Kinase activities were assayed using the Transcreener-Fluorecescence polarization platform (BelBrook Labs, Madison, Wis., USA) that measures amounts ...				US Patent US10988478 (2021) BindingDB Entry DOI: 10.7270/Q2K077DT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504220 (US11034698, Example 66 | US11034698, Example 67) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@H]3CC[C@@H](O)C3)cc2C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504224 ((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-1-oxo...) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CCNCC3)cc2C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504234 (US11034698, Example 83 | US11034698, Example 84) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3CCOC3)cc2C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50514924 (CHEMBL4568867) Show SMILES O=C(Nc1cc2sc(nc2cc1N1CCOCC1)N1CCOCC1)c1cnn2cccnc12 Show InChI InChI=1S/C22H23N7O3S/c30-21(15-14-24-29-3-1-2-23-20(15)29)25-16-13-19-17(12-18(16)27-4-8-31-9-5-27)26-22(33-19)28-6-10-32-11-7-28/h1-3,12-14H,4-11H2,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...				J Med Chem 62: 6223-6240 (2019) Article DOI: 10.1021/acs.jmedchem.9b00439 BindingDB Entry DOI: 10.7270/Q2CC1419
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494440 ((R)-N-(6- (cyclopropylmethoxy)-2- (2-fluoro-3-hydr...) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC3CC3)cc2C1=O |r| Show InChI InChI=1S/C24H26FN5O4/c1-24(2,33)20(25)12-29-11-15-8-18(19(9-16(15)23(29)32)34-13-14-4-5-14)28-22(31)17-10-27-30-7-3-6-26-21(17)30/h3,6-10,14,20,33H,4-5,11-13H2,1-2H3,(H,28,31)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Kinase activities were assayed using the Transcreener-Fluorecescence polarization platform (BelBrook Labs, Madison, Wis., USA) that measures amounts ...				US Patent US10988478 (2021) BindingDB Entry DOI: 10.7270/Q2K077DT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504202 ((R)-N-(6-Methoxy-2,2-dimethyl- 2,3-dihydrobenzofur...) Show SMILES COc1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504231 ((R)-N-(6-(Cyclopentyloxy)-2-(2- fluoro-3-hydroxy-3...) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CCCC3)cc2C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504230 ((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-(ox...) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC3COC3)cc2C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494349 (US10988478, Example 400) Show SMILES F[C@@H]1COCC[C@H]1N1Cc2cc(NC(=O)C(\C=N)=C3\NC=CC=N3)c(cc2C1=O)N1CCOCC1 |r,c:21,23| Show InChI InChI=1S/C24H27FN6O4/c25-18-14-35-7-2-20(18)31-13-15-10-19(29-23(32)17(12-26)22-27-3-1-4-28-22)21(11-16(15)24(31)33)30-5-8-34-9-6-30/h1,3-4,10-12,18,20,26-27H,2,5-9,13-14H2,(H,29,32)/b22-17-,26-12?/t18-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Kinase activities were assayed using the Transcreener-Fluorecescence polarization platform (BelBrook Labs, Madison, Wis., USA) that measures amounts ...				US Patent US10988478 (2021) BindingDB Entry DOI: 10.7270/Q2K077DT
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494075 (US10988478, Example 120) Show SMILES C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1C[C@H]2C[C@@H]1CN2CC(F)(F)F |r| Show InChI InChI=1S/C24H25F3N6O3/c1-23(13-34)8-14-5-18(30-22(35)17-9-29-33-4-2-3-28-21(17)33)19(7-20(14)36-23)32-11-15-6-16(32)10-31(15)12-24(25,26)27/h2-5,7,9,15-16,34H,6,8,10-13H2,1H3,(H,30,35)/t15-,16-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Kinase activities were assayed using the Transcreener-Fluorecescence polarization platform (BelBrook Labs, Madison, Wis., USA) that measures amounts ...				US Patent US10988478 (2021) BindingDB Entry DOI: 10.7270/Q2K077DT
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM493978 (N-[6-[4-fluoro-4-(hydroxymethyl)-1- piperidyl]-2,2...) Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(F)(CO)CC1 Show InChI InChI=1S/C23H26FN5O3/c1-22(2)12-15-10-17(27-21(31)16-13-26-29-7-3-6-25-20(16)29)18(11-19(15)32-22)28-8-4-23(24,14-30)5-9-28/h3,6-7,10-11,13,30H,4-5,8-9,12,14H2,1-2H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Kinase activities were assayed using the Transcreener-Fluorecescence polarization platform (BelBrook Labs, Madison, Wis., USA) that measures amounts ...				US Patent US10988478 (2021) BindingDB Entry DOI: 10.7270/Q2K077DT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504225 (US11034698, Example 71 | US11034698, Example 72) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@@H]3CNC(=O)C3)cc2C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504220 (US11034698, Example 66 | US11034698, Example 67) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@H]3CC[C@@H](O)C3)cc2C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50514935 (CHEMBL4520118 | US10988478, Example 491) Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cc(cnc34)C(N)=O)c(cc2O1)N1CCOCC1 Show InChI InChI=1S/C22H24N6O4/c1-22(2)9-13-7-16(17(8-18(13)32-22)27-3-5-31-6-4-27)26-21(30)15-11-25-28-12-14(19(23)29)10-24-20(15)28/h7-8,10-12H,3-6,9H2,1-2H3,(H2,23,29)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Kinase activities were assayed using the Transcreener-Fluorecescence polarization platform (BelBrook Labs, Madison, Wis., USA) that measures amounts ...				US Patent US10988478 (2021) BindingDB Entry DOI: 10.7270/Q2K077DT
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494453 (N-(6-(4-((1H-imidazol-4- yl)-2,2-dimethyl-2,3- yl)...) Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(Cc2c[nH]cn2)CC1 Show InChI InChI=1S/C25H28N8O2/c1-25(2)12-17-10-20(30-24(34)19-14-29-33-5-3-4-27-23(19)33)21(11-22(17)35-25)32-8-6-31(7-9-32)15-18-13-26-16-28-18/h3-5,10-11,13-14,16H,6-9,12,15H2,1-2H3,(H,26,28)(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Kinase activities were assayed using the Transcreener-Fluorecescence polarization platform (BelBrook Labs, Madison, Wis., USA) that measures amounts ...				US Patent US10988478 (2021) BindingDB Entry DOI: 10.7270/Q2K077DT
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494463 ((S)-N-(3-(cyanomethyl)- 3-methyl-7- morpholinochro...) Show SMILES C[C@]1(CC#N)COc2cc(N3CCOCC3)c(NC(=O)c3cnn4cccnc34)cc2C1 |r| Show InChI InChI=1S/C23H24N6O3/c1-23(3-4-24)13-16-11-18(19(12-20(16)32-15-23)28-7-9-31-10-8-28)27-22(30)17-14-26-29-6-2-5-25-21(17)29/h2,5-6,11-12,14H,3,7-10,13,15H2,1H3,(H,27,30)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Kinase activities were assayed using the Transcreener-Fluorecescence polarization platform (BelBrook Labs, Madison, Wis., USA) that measures amounts ...				US Patent US10988478 (2021) BindingDB Entry DOI: 10.7270/Q2K077DT
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50514935 (CHEMBL4520118 | US10988478, Example 491) Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cc(cnc34)C(N)=O)c(cc2O1)N1CCOCC1 Show InChI InChI=1S/C22H24N6O4/c1-22(2)9-13-7-16(17(8-18(13)32-22)27-3-5-31-6-4-27)26-21(30)15-11-25-28-12-14(19(23)29)10-24-20(15)28/h7-8,10-12H,3-6,9H2,1-2H3,(H2,23,29)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...				J Med Chem 62: 6223-6240 (2019) Article DOI: 10.1021/acs.jmedchem.9b00439 BindingDB Entry DOI: 10.7270/Q2CC1419
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504214 ((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-((1...) Show SMILES Cn1cc(COc2cc3C(=O)N(C[C@@H](F)C(C)(C)O)Cc3cc2NC(=O)c2cnn3cccnc23)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50514941 (CHEMBL4515682) Show SMILES OCC1CCN(CC1)c1cc2nc(oc2cc1NC(=O)c1cnn2cccnc12)N1CCOCC1 Show InChI InChI=1S/C24H27N7O4/c32-15-16-2-6-29(7-3-16)20-12-19-21(35-24(28-19)30-8-10-34-11-9-30)13-18(20)27-23(33)17-14-26-31-5-1-4-25-22(17)31/h1,4-5,12-14,16,32H,2-3,6-11,15H2,(H,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...				J Med Chem 62: 6223-6240 (2019) Article DOI: 10.1021/acs.jmedchem.9b00439 BindingDB Entry DOI: 10.7270/Q2CC1419
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM504240 ((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-((1...) Show SMILES Cn1cc(Oc2cc3C(=O)N(C[C@@H](F)C(C)(C)O)Cc3cc2NC(=O)c2cnn3cccnc23)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...				Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX
					More data for this Ligand-Target Pair

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