Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 790 entry = 50034019   

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
Serine/threonine-protein kinase TAO2 (Homo sapiens (Human))	BDBM50026612 (BIBF-1120 | Nintedanib | US10981896, Compound Nint...) Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for TAOK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TAO2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for TAOK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase TAO2 (Homo sapiens (Human))	BDBM50326053 (CHEMBL608533 | PKC-412) Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for TAOK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TAO2 (Homo sapiens (Human))	BDBM50308060 (16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...) Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for TAOK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair