Compile Data Set for Download or QSAR

Found 3572 hits with Last Name = 'kiefer' and Initial = 'j'   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602306 (CHEMBL5208487) Show SMILES CC(C)n1nc(N)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM295665 ((S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin...) Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O |r| Show InChI InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602320 (CHEMBL5199631) Show SMILES CC(C)[C@@H]1COC(=O)N1c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r| 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	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602324 (CHEMBL5198796) Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM295669 ((S)-2-cyclopropyl-2-((2-((S)-4- (fluoromethyl)-2-o...) Show SMILES NC(=O)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C1CC1 |r| Show InChI InChI=1S/C20H22FN5O4/c21-8-13-10-30-20(28)26(13)16-9-25-5-6-29-15-7-12(3-4-14(15)19(25)24-16)23-17(18(22)27)11-1-2-11/h3-4,7,9,11,13,17,23H,1-2,5-6,8,10H2,(H2,22,27)/t13-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602323 (CHEMBL5209168) Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM475607 (US10851091, Compound 103) Show SMILES NC(=O)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C1CC1 |r| Show InChI InChI=1S/C20H21F2N5O4/c21-17(22)13-9-31-20(29)27(13)15-8-26-5-6-30-14-7-11(3-4-12(14)19(26)25-15)24-16(18(23)28)10-1-2-10/h3-4,7-8,10,13,16-17,24H,1-2,5-6,9H2,(H2,23,28)/t13-,16-/m0/s1	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									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602305 (CHEMBL5209048) Show SMILES C[C@H](Oc1ccc2-c3nc(cn3CCOc2c1)-c1nc(CO)nn1CC(F)(F)F)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434806 (2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)	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	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602328 (CHEMBL5205438) Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602326 (CHEMBL5181348) Show SMILES CO[C@@H]1CCN([C@@H]1C(N)=O)c1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602331 (CHEMBL5182371) Show SMILES NC(=O)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F)C1CC1 |r| 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	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602304 (CHEMBL5182339) Show SMILES CC(C)n1nc(N)nc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50343081 (CHEMBL1771216 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...) Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C26H31F3N6O7S/c1-40-18-16-34-14-11-25(12-15-34,24(36)32-37)43(38,39)22-9-7-20(8-10-22)41-17-2-13-35-31-23(30-33-35)19-3-5-21(6-4-19)42-26(27,28)29/h3-10,37H,2,11-18H2,1H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP-13				Bioorg Med Chem Lett 21: 2820-2 (2011) Article DOI: 10.1016/j.bmcl.2011.03.099 BindingDB Entry DOI: 10.7270/Q2416XCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602321 (CHEMBL5202305) Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602329 (CHEMBL5189517) Show SMILES CC[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM295676 (US10851091, U.S. Pat. No. 8,242,104 No. 486 | US82...) Show SMILES C[C@H](Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O |r| Show InChI InChI=1S/C18H17F3N6O3/c1-10(15(22)28)30-11-2-3-12-14(6-11)29-5-4-26-7-13(25-16(12)26)17-23-9-24-27(17)8-18(19,20)21/h2-3,6-7,9-10H,4-5,8H2,1H3,(H2,22,28)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602325 (CHEMBL5209394) Show SMILES NC(=O)[C@@H]1[C@H](F)CCN1c1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602313 (CHEMBL5181675) Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)N1CCCOCC1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602332 (CHEMBL5209238) Show SMILES NC(=O)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F)C1CCC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.323	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50149548 (CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...) Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r| Show InChI InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1	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	0.346	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602308 (CHEMBL5192172) Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)N1CC[C@H](O)C1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602315 (CHEMBL5204346) Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)N1CCn2nccc2C1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					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))	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
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
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602316 (CHEMBL5194906) Show SMILES C[C@@H]1COC(=O)N1c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					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
Collagenase 3 (Homo sapiens (Human))	BDBM50343083 (CHEMBL1771218 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...) Show SMILES Cc1ccc(nc1)-c1nnnn1CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-26-27-28(20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)25-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP-13				Bioorg Med Chem Lett 21: 2820-2 (2011) Article DOI: 10.1016/j.bmcl.2011.03.099 BindingDB Entry DOI: 10.7270/Q2416XCK
					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
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
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))	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
Collagenase 3 (Homo sapiens (Human))	BDBM50343080 (CHEMBL1771215 | N-hydroxy-4-(4-(3-(5-(4-(trifluoro...) Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-4-2-16(3-5-18)20-27-30-31(28-20)12-1-13-37-17-6-8-19(9-7-17)39(34,35)22(21(32)29-33)10-14-36-15-11-22/h2-9,33H,1,10-15H2,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP-13				Bioorg Med Chem Lett 21: 2820-2 (2011) Article DOI: 10.1016/j.bmcl.2011.03.099 BindingDB Entry DOI: 10.7270/Q2416XCK
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50343082 (CHEMBL1771217 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...) Show SMILES Cc1ccc(nc1)-c1nnn(CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)n1 Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-27-28(25-20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)26-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP-13				Bioorg Med Chem Lett 21: 2820-2 (2011) Article DOI: 10.1016/j.bmcl.2011.03.099 BindingDB Entry DOI: 10.7270/Q2416XCK
					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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM480659 (N-[6-morpholino-1-oxo-2-[rac- (2R)-2-fluoro-3-hydr...) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3coc(n3)-c3ccncc3)c(cc2C1=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H28FN5O5/c1-26(2,35)22(27)14-32-13-17-11-19(21(12-18(17)25(32)34)31-7-9-36-10-8-31)29-23(33)20-15-37-24(30-20)16-3-5-28-6-4-16/h3-6,11-12,15,22,35H,7-10,13-14H2,1-2H3,(H,29,33)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.680	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 US10899772 (2021) BindingDB Entry DOI: 10.7270/Q2CC13SR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602307 (CHEMBL5184370) Show SMILES CC1(C)N(C(=O)NC1=O)c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.681	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602330 (CHEMBL5186223) Show SMILES CC(C)[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					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

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