Compile Data Set for Download or QSAR

Found 44 hits of ic50 for UniProtKB: P49116   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM375312 (US9908872, Compound (I-9)) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cnn(C)c3)c2)CC1 Show InChI InChI=1S/C32H34F3N7O2/c1-4-41-9-11-42(12-10-41)20-23-7-6-22(14-28(23)32(33,34)35)30(43)38-27-8-5-21(2)29(15-27)39-31(44)25-13-24(16-36-17-25)26-18-37-40(3)19-26/h5-8,13-19H,4,9-12,20H2,1-3H3,(H,38,43)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.43	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2668GH3
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM375310 (US9908872, Compound (I-8)) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cnoc3)c2)CC1 Show InChI InChI=1S/C31H31F3N6O3/c1-3-39-8-10-40(11-9-39)18-22-6-5-21(13-27(22)31(32,33)34)29(41)37-26-7-4-20(2)28(14-26)38-30(42)24-12-23(15-35-16-24)25-17-36-43-19-25/h4-7,12-17,19H,3,8-11,18H2,1-2H3,(H,37,41)(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.33	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2668GH3
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM375276 (US10597387, Compound (I-1) | US9908872, Compound (...) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)CC1 Show InChI InChI=1S/C32H32F3N5O2S/c1-3-39-10-12-40(13-11-39)20-23-8-7-22(16-27(23)32(33,34)35)30(41)37-26-9-6-21(2)28(17-26)38-31(42)25-15-24(18-36-19-25)29-5-4-14-43-29/h4-9,14-19H,3,10-13,20H2,1-2H3,(H,37,41)(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2668GH3
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM50379186 (CEP-11981 | CHEMBL2010872) Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12 Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human TAK1 using ATP as substrate				J Med Chem 55: 903-13 (2012) Article DOI: 10.1021/jm201449n BindingDB Entry DOI: 10.7270/Q2ZS2XHW
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM375281 (US10597387, Compound (I-4) | US9908872, Compound (...) Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H28F3N5O2S/c1-19-5-6-20(13-26(19)36-29(40)22-12-21(17-34-18-22)27-4-3-11-41-27)28(39)35-24-14-23(30(31,32)33)15-25(16-24)38-9-7-37(2)8-10-38/h3-6,11-18H,7-10H2,1-2H3,(H,35,39)(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.8	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2668GH3
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM375307 (US10597387, Compound (I-6) | US9908872, Compound (...) Show SMILES Cc1ccc(cc1NC(=O)c1cncc(c1)-c1cccs1)C(=O)Nc1cccc(c1)C(C)(C)C#N Show InChI InChI=1S/C28H24N4O2S/c1-18-9-10-19(26(33)31-23-7-4-6-22(14-23)28(2,3)17-29)13-24(18)32-27(34)21-12-20(15-30-16-21)25-8-5-11-35-25/h4-16H,1-3H3,(H,31,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.9	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2668GH3
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439303 (US10633348, Compound (A-17)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H31F3N6O3/c1-4-26(39)36-25-16-27(34-18-33-25)41-24-14-20(7-6-19(24)3)28(40)35-22-9-8-21(23(15-22)29(30,31)32)17-38-12-10-37(5-2)11-13-38/h4,6-9,14-16,18H,1,5,10-13,17H2,2-3H3,(H,35,40)(H,33,34,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439318 (US10633348, Compound (A-14)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(Nc5cnn(C)c5)n4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H33F3N8O2/c1-4-40-11-13-41(14-12-40)18-22-7-8-23(16-25(22)30(31,32)33)36-28(42)21-6-5-20(2)26(15-21)43-27-9-10-34-29(38-27)37-24-17-35-39(3)19-24/h5-10,15-17,19H,4,11-14,18H2,1-3H3,(H,36,42)(H,34,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53.8	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM375308 (US10597387, Compound (I-7) | US9908872, Compound (...) Show SMILES Cc1ccc(cc1NC(=O)c1cncc(c1)-c1cccs1)C(=O)Nc1cc(cc(c1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C32H33N5O4S/c1-22-4-5-23(16-29(22)35-32(39)25-15-24(20-33-21-25)30-3-2-14-42-30)31(38)34-26-17-27(36-6-10-40-11-7-36)19-28(18-26)37-8-12-41-13-9-37/h2-5,14-21H,6-13H2,1H3,(H,34,38)(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56.5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2668GH3
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM50086441 (CHEMBL3426225 | US10266537, Compound 3) Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human TAK1				J Med Chem 58: 3957-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00270 BindingDB Entry DOI: 10.7270/Q2J38V91
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM375280 (US10597387, Compound (I-3) | US9908872, Compound (...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H22F3N5O2S/c1-17-5-6-19(9-25(17)36-28(39)21-8-20(13-33-14-21)26-4-3-7-40-26)27(38)35-23-10-22(29(30,31)32)11-24(12-23)37-15-18(2)34-16-37/h3-16H,1-2H3,(H,35,38)(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62.2	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2668GH3
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439308 (US10633348, Compound (A-6)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5ccn[nH]5)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H31F3N8O2/c1-3-39-10-12-40(13-11-39)17-21-6-7-22(15-23(21)29(30,31)32)36-28(41)20-5-4-19(2)24(14-20)42-27-16-26(33-18-34-27)37-25-8-9-35-38-25/h4-9,14-16,18H,3,10-13,17H2,1-2H3,(H,36,41)(H2,33,34,35,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63.5	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439309 (US10633348, Compound (A-7)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5cn[nH]c5)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H31F3N8O2/c1-3-39-8-10-40(11-9-39)17-21-6-7-22(13-24(21)29(30,31)32)38-28(41)20-5-4-19(2)25(12-20)42-27-14-26(33-18-34-27)37-23-15-35-36-16-23/h4-7,12-16,18H,3,8-11,17H2,1-2H3,(H,35,36)(H,38,41)(H,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	71.7	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439316 (US10633348, Compound (A-12)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5ccn(C)n5)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H33F3N8O2/c1-4-40-11-13-41(14-12-40)18-22-7-8-23(16-24(22)30(31,32)33)36-29(42)21-6-5-20(2)25(15-21)43-28-17-27(34-19-35-28)37-26-9-10-39(3)38-26/h5-10,15-17,19H,4,11-14,18H2,1-3H3,(H,36,42)(H,34,35,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	76.2	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439305 (US10633348, Compound (A-3)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C5CC5)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H33F3N6O3/c1-3-38-10-12-39(13-11-38)17-22-8-9-23(15-24(22)30(31,32)33)36-29(41)21-5-4-19(2)25(14-21)42-27-16-26(34-18-35-27)37-28(40)20-6-7-20/h4-5,8-9,14-16,18,20H,3,6-7,10-13,17H2,1-2H3,(H,36,41)(H,34,35,37,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439307 (US10633348, Compound (A-5)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5cnn(C)c5)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H33F3N8O2/c1-4-40-9-11-41(12-10-40)17-22-7-8-23(14-25(22)30(31,32)33)38-29(42)21-6-5-20(2)26(13-21)43-28-15-27(34-19-35-28)37-24-16-36-39(3)18-24/h5-8,13-16,18-19H,4,9-12,17H2,1-3H3,(H,38,42)(H,34,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439304 (US10633348, Compound (A-2)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)CC)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F3N6O3/c1-4-26(39)36-25-16-27(34-18-33-25)41-24-14-20(7-6-19(24)3)28(40)35-22-9-8-21(23(15-22)29(30,31)32)17-38-12-10-37(5-2)11-13-38/h6-9,14-16,18H,4-5,10-13,17H2,1-3H3,(H,35,40)(H,33,34,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM375299 (US10597387, Compound (I-5) | US9908872, Compound (...) Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)cc1C(F)(F)F Show InChI InChI=1S/C31H30F3N5O2S/c1-3-38-10-12-39(13-11-38)27-9-8-24(17-25(27)31(32,33)34)36-29(40)21-7-6-20(2)26(16-21)37-30(41)23-15-22(18-35-19-23)28-5-4-14-42-28/h4-9,14-19H,3,10-13H2,1-2H3,(H,36,40)(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2668GH3
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM50604141 (CHEMBL5188433) Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(Cl)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM50584720 (CHEMBL5088153) Show SMILES Cc1cc(NC(=O)Nc2cc(nn2-c2ccc(Cl)cc2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TAK1 in presence of ATP by radiometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01597 BindingDB Entry DOI: 10.7270/Q2377DMN
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439319 (US10633348, Compound (A-15)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(Nc5cnoc5)n4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H30F3N7O3/c1-3-38-10-12-39(13-11-38)17-21-6-7-22(15-24(21)29(30,31)32)35-27(40)20-5-4-19(2)25(14-20)42-26-8-9-33-28(37-26)36-23-16-34-41-18-23/h4-9,14-16,18H,3,10-13,17H2,1-2H3,(H,35,40)(H,33,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM50604140 (CHEMBL5185000) Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM438001 (US10633348, Compound (A-1) | US10633348, Compound ...) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H31F3N6O2/c1-4-35-9-11-36(12-10-35)16-20-7-8-21(14-22(20)27(28,29)30)34-26(37)19-6-5-18(2)23(13-19)38-25-15-24(31-3)32-17-33-25/h5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,34,37)(H,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	364	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439317 (US10633348, Compound (A-13)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC5COC5)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F3N6O3/c1-3-37-8-10-38(11-9-37)15-21-6-7-22(13-24(21)29(30,31)32)36-28(39)20-5-4-19(2)25(12-20)41-27-14-26(33-18-34-27)35-23-16-40-17-23/h4-7,12-14,18,23H,3,8-11,15-17H2,1-2H3,(H,36,39)(H,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM438001 (US10633348, Compound (A-1) | US10633348, Compound ...) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H31F3N6O2/c1-4-35-9-11-36(12-10-35)16-20-7-8-21(14-22(20)27(28,29)30)34-26(37)19-6-5-18(2)23(13-19)38-25-15-24(31-3)32-17-33-25/h5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,34,37)(H,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	487	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439306 (US10633348, Compound (A-4)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(N)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H29F3N6O2/c1-3-34-8-10-35(11-9-34)15-19-6-7-20(13-21(19)26(27,28)29)33-25(36)18-5-4-17(2)22(12-18)37-24-14-23(30)31-16-32-24/h4-7,12-14,16H,3,8-11,15H2,1-2H3,(H,33,36)(H2,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	591	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM400813 (QL-X-138 | US10000483, Compound II-6) Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1 Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h3-14H,1H2,2H3,(H,27,28)(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	717	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2QF8W63
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439314 (US10633348, Compound (A-18)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NNC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H32F3N7O3/c1-4-26(40)37-36-25-16-27(34-18-33-25)42-24-14-20(7-6-19(24)3)28(41)35-22-9-8-21(23(15-22)29(30,31)32)17-39-12-10-38(5-2)11-13-39/h4,6-9,14-16,18H,1,5,10-13,17H2,2-3H3,(H,35,41)(H,37,40)(H,33,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM50245587 (CHEMBL4077064 | US10000483, Compound II-4) Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2QF8W63
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	>3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2QF8W63
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM375307 (US10597387, Compound (I-6) | US9908872, Compound (...) Show SMILES Cc1ccc(cc1NC(=O)c1cncc(c1)-c1cccs1)C(=O)Nc1cccc(c1)C(C)(C)C#N Show InChI InChI=1S/C28H24N4O2S/c1-18-9-10-19(26(33)31-23-7-4-6-22(14-23)28(2,3)17-29)13-24(18)32-27(34)21-12-20(15-30-16-21)25-8-5-11-35-25/h4-16H,1-3H3,(H,31,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				US Patent US10597387 (2020) BindingDB Entry DOI: 10.7270/Q2ZC85X9
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439312 (US10633348, Compound (A-9)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NNC(C)=O)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H32F3N7O3/c1-4-37-9-11-38(12-10-37)16-21-7-8-22(14-23(21)28(29,30)31)34-27(40)20-6-5-18(2)24(13-20)41-26-15-25(32-17-33-26)36-35-19(3)39/h5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,34,40)(H,35,39)(H,32,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM375276 (US10597387, Compound (I-1) | US9908872, Compound (...) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)CC1 Show InChI InChI=1S/C32H32F3N5O2S/c1-3-39-10-12-40(13-11-39)20-23-8-7-22(16-27(23)32(33,34)35)30(41)37-26-9-6-21(2)28(17-26)38-31(42)25-15-24(18-36-19-25)29-5-4-14-43-29/h4-9,14-19H,3,10-13,20H2,1-2H3,(H,37,41)(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				US Patent US10597387 (2020) BindingDB Entry DOI: 10.7270/Q2ZC85X9
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439315 (US10633348, Compound (A-11)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NN(C)C)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H34F3N7O2/c1-5-37-10-12-38(13-11-37)17-21-8-9-22(15-23(21)28(29,30)31)34-27(39)20-7-6-19(2)24(14-20)40-26-16-25(32-18-33-26)35-36(3)4/h6-9,14-16,18H,5,10-13,17H2,1-4H3,(H,34,39)(H,32,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439313 (US10633348, Compound (A-10)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC5CNC5)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H34F3N7O2/c1-3-38-8-10-39(11-9-38)17-21-6-7-22(13-24(21)29(30,31)32)37-28(40)20-5-4-19(2)25(12-20)41-27-14-26(34-18-35-27)36-23-15-33-16-23/h4-7,12-14,18,23,33H,3,8-11,15-17H2,1-2H3,(H,37,40)(H,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020) BindingDB Entry DOI: 10.7270/Q22Z18JR
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM375299 (US10597387, Compound (I-5) | US9908872, Compound (...) Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(C)c(NC(=O)c3cncc(c3)-c3cccs3)c2)cc1C(F)(F)F Show InChI InChI=1S/C31H30F3N5O2S/c1-3-38-10-12-39(13-11-38)27-9-8-24(17-25(27)31(32,33)34)36-29(40)21-7-6-20(2)26(16-21)37-30(41)23-15-22(18-35-19-23)28-5-4-14-42-28/h4-9,14-19H,3,10-13H2,1-2H3,(H,36,40)(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening...				US Patent US10597387 (2020) BindingDB Entry DOI: 10.7270/Q2ZC85X9
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM50386693 (CHEMBL2048912) Show SMILES CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12 Show InChI InChI=1S/C25H24ClN7O2S/c1-25(2,27)24(34)28-9-11-33-10-8-18-22(33)23(30-14-29-18)32-15-6-7-20(17(26)12-15)35-19-4-3-5-21-16(19)13-31-36-21/h3-8,10,12-14H,9,11,27H2,1-2H3,(H,28,34)(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus FLAG-tagged TAK1 expressed in baculovirus expression system using [gamma-33P]-ATP measured after 60 mins by scintillation co...				J Med Chem 55: 3975-91 (2012) Article DOI: 10.1021/jm300185p BindingDB Entry DOI: 10.7270/Q2474BX1
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM50334268 (CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TAK1				Bioorg Med Chem Lett 22: 7326-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.084 BindingDB Entry DOI: 10.7270/Q2M32WXV
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM50429867 (CHEMBL2333365) Show SMILES Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O Show InChI InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin)				J Med Chem 56: 2218-34 (2013) Article DOI: 10.1021/jm3007933 BindingDB Entry DOI: 10.7270/Q2ZC847X
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM50432373 (CHEMBL2348417) Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6| Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged TAK1 (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP ad...				Bioorg Med Chem 21: 2250-61 (2013) Article DOI: 10.1016/j.bmc.2013.02.014 BindingDB Entry DOI: 10.7270/Q2TT4S9D
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Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM50357884 (CHEMBL1916359) Show SMILES [O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)| Show InChI InChI=1S/C20H10Cl3FN2O/c21-15-2-1-3-16(22)18(15)20-19-14(7-9-26(20)27)12(6-8-25-19)13-5-4-11(24)10-17(13)23/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human TAK1				J Med Chem 54: 7899-910 (2011) Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR
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Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM50358430 (CHEMBL1614725) Show SMILES CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminus flag-tagged TAK1 expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillat...				J Med Chem 54: 8030-50 (2011) Article DOI: 10.1021/jm2008634 BindingDB Entry DOI: 10.7270/Q23R0T93
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Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM357013 (5-Phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)...) Show SMILES Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1 Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...				US Patent US10214511 (2019) BindingDB Entry DOI: 10.7270/Q29Z975M
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Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM50239229 (CHEMBL4097255 | US10676460, Example 1) Show SMILES C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1 Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and subst...				US Patent US10676460 (2020) BindingDB Entry DOI: 10.7270/Q2QZ2F1C
					More data for this Ligand-Target Pair