Compile Data Set for Download or QSAR

Found 841 hits with Last Name = 'park' and Initial = 'sy'   

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
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM571620 (6-((5-(4-(1H-pyrazol-1- yl)phenyl)-1H-pyrazol-3- y...) Show SMILES O=C1CCc2cc(Nc3cc([nH]n3)-c3ccc(cc3)-n3cccn3)ccc2N1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11447469-20220920-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q24X5C2H
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579709 (4-((5-(5-chlorothiophen-2- yl)-1H-pyrazol-3-yl)ami...) Show SMILES CCc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(Cl)s1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM571666 (5-((5-(3-fluoro-4- hydroxyphenyl)-1H- pyrazol-3- y...) Show SMILES Oc1ccc(cc1F)-c1cc(Nc2ccc3NC(=O)Cc3c2)n[nH]1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11447469-20220920-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q24X5C2H
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579718 (3-ethyl-4-((5-(4-iodophenyl)- 1H-pyrazol-3-yl)amin...) Show SMILES CCc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(I)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM571674 (6-((5-(4-(1H-imidazol-1- yl)phenyl)-1H-pyrazol-3- ...) Show SMILES O=C1CCc2cc(Nc3cc([nH]n3)-c3ccc(cc3)-n3ccnc3)ccc2N1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11447469-20220920-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q24X5C2H
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579738 (N-(4-((5-(4-(1H-pyrazol-1- yl)phenyl)-1H-pyrazol-3...) Show SMILES Cc1cc(NC(=O)CCCl)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-n1cccn1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579704 (N-(4-((5-(4-(1H-imidazol-1- yl)phenyl)-1H-pyrazol-...) Show SMILES Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-n1ccnc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579739 (N-(4-((5-(4-(1H-pyrazol-1- yl)phenyl)-1H-pyrazol-3...) Show SMILES Cc1cc(NC(=O)CCN2CCOCC2)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-n1cccn1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579743 (N-(4-((5-(4-(1H-pyrazol-1- yl)phenyl)-1H-pyrazol-3...) Show SMILES Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-n1cccn1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579689 (N-(4-((5-(4-hydroxyphenyl)- 1H-pyrazol-3-yl)amino)...) Show SMILES Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579794 (4-((5-(4-(1H-pyrazol-4- yl)phenyl)-1H-pyrazol-3- y...) Show SMILES Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-c1cn[nH]c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50464556 (CHEMBL4289811 | US10464907, Compound 21f | US10889...) Show SMILES CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C22H28N2O4/c1-5-10-23-21(27)16-8-6-15(7-9-16)13-24(4)22(28)18-11-17(14(2)3)19(25)12-20(18)26/h6-9,11-12,14,25-26H,5,10,13H2,1-4H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of FITC-geldanamycin binding to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) after 16 hrs by fluorescence pola...				Eur J Med Chem 143: 390-401 (2018) Article DOI: 10.1016/j.ejmech.2017.11.054 BindingDB Entry DOI: 10.7270/Q29C713M
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579761 (1-(4-(3-((4-hydroxy-2- methylphenyl)amino)-1H- pyr...) Show SMILES Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)N1CCCC1=O Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579714 (4-((5-(1H-indol-3-yl)-1H- pyrazol-3-yl)amino)-3- m...) Show SMILES Cc1cc(O)ccc1Nc1cc([nH]n1)-c1c[nH]c2ccccc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50464557 (CHEMBL4279132 | US10464907, Compound 21e | US10889...) Show SMILES CCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C21H26N2O4/c1-5-22-20(26)15-8-6-14(7-9-15)12-23(4)21(27)17-10-16(13(2)3)18(24)11-19(17)25/h6-11,13,24-25H,5,12H2,1-4H3,(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of FITC-geldanamycin binding to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) after 16 hrs by fluorescence pola...				Eur J Med Chem 143: 390-401 (2018) Article DOI: 10.1016/j.ejmech.2017.11.054 BindingDB Entry DOI: 10.7270/Q29C713M
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579740 (2-(dimethylamino)-N-(4-((5- (3-fluoro-4-hydroxyphe...) Show SMILES CN(C)CC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(O)c(F)c2)c(C)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579764 (US11485711, Compound 208 | methyl (4-((5-(4-(1H-py...) Show SMILES COC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2cccn2)c(C)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM571724 (7-((5-(4-(1H-pyrazol-1- yl)phenyl)-1H-pyrazol-3- y...) Show SMILES O=C1COc2cc(Nc3cc([nH]n3)-c3ccc(cc3)-n3cccn3)ccc2N1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11447469-20220920-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q24X5C2H
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579763 (1-(4-((5-(4-(1H-pyrazol-1- yl)phenyl)-1H-pyrazol-3...) Show SMILES CNC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2cccn2)c(C)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579799 (3-methyl-4-((5-(4-(1-methyl-1H- pyrazol-4-yl)pheny...) Show SMILES Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-c1cnn(C)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579736 (4-((5-(4-(1H-imidazol-1- yl)phenyl)-1H-pyrazol-3- ...) Show SMILES Oc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2ccnc2)c(Cl)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579705 (N-(4-((5-(4-(1H-imidazol-1- yl)phenyl)-4-fluoro-1H...) Show SMILES Cc1cc(NS(C)(=O)=O)ccc1Nc1n[nH]c(c1F)-c1ccc(cc1)-n1ccnc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579801 (3-methyl-4-((5-(4-(3- (trifluoromethyl)-1H-pyrazol...) Show SMILES Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-c1c[nH]nc1C(F)(F)F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579765 (US11485711, Compound 209 | ethyl (4-((5-(4-(1H-pyr...) Show SMILES CCOC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2cccn2)c(C)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579741 (N-(4-((5-(3-fluoro-4- hydroxyphenyl-1H-pyrazol-3- ...) Show SMILES Cc1cc(NC(=O)CCN2CCOCC2)ccc1Nc1cc([nH]n1)-c1ccc(O)c(F)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50117298 (CHEMBL3613597) Show SMILES CC(C)c1nn(C)cc1-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1 Show InChI InChI=1S/C23H27BrN8/c1-15(2)19-17(14-30(3)29-19)22-27-20-21(18(24)12-26-23(20)28-22)32-9-7-31(8-10-32)13-16-5-4-6-25-11-16/h4-6,11-12,14-15H,7-10,13H2,1-3H3,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of Tyk2 (unknown origin)				Bioorg Med Chem Lett 25: 3947-52 (2015) Article DOI: 10.1016/j.bmcl.2015.07.037 BindingDB Entry DOI: 10.7270/Q2Z039ZQ
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579708 (4-((5-(benzo[b]thiophen-3- yl)-1H-pyrazol-3-yl)ami...) Show SMILES CCc1cc(O)ccc1Nc1cc([nH]n1)-c1csc2ccccc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579800 (4-((5-(4-(3,5-dimethyl-1H-pyrazol- 4-yl)phenyl)-1H...) Show SMILES Cc1n[nH]c(C)c1-c1ccc(cc1)-c1cc(Nc2ccc(O)cc2C)n[nH]1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50464562 (CHEMBL4293186 | US10464907, Compound 21d | US10889...) Show SMILES CNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C20H24N2O4/c1-12(2)15-9-16(18(24)10-17(15)23)20(26)22(4)11-13-5-7-14(8-6-13)19(25)21-3/h5-10,12,23-24H,11H2,1-4H3,(H,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of FITC-geldanamycin binding to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) after 16 hrs by fluorescence pola...				Eur J Med Chem 143: 390-401 (2018) Article DOI: 10.1016/j.ejmech.2017.11.054 BindingDB Entry DOI: 10.7270/Q29C713M
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579693 (3-ethyl-4-((5-(4- hydroxyphenyl)-1H-pyrazol-3- yl)...) Show SMILES CCc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579703 (N-(4-((5-(4-hydroxy-3- methylphenyl)-1H-pyrazol-3-...) Show SMILES CC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(O)c(C)c2)c(C)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50008059 (CHEBI:5292 | GELDANAMYCIN) Show SMILES CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,21,t:13,19,32| Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E...				Eur J Med Chem 124: 1069-1080 (2016) Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50008059 (CHEBI:5292 | GELDANAMYCIN) Show SMILES CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,21,t:13,19,32| Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of FITC-geldanamycin binding to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) after 16 hrs by fluorescence pola...				Eur J Med Chem 143: 390-401 (2018) Article DOI: 10.1016/j.ejmech.2017.11.054 BindingDB Entry DOI: 10.7270/Q29C713M
					More data for this Ligand-Target Pair				3D Structure (crystal)
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579735 (4-((5-(4-(1H-inidazol-1- yl)phenyl)-1H-pyrazol-3- ...) Show SMILES Oc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2ccnc2)cc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579730 (N-(4-((5-(4-(1H-imidazol-1- yl)phenyl)-1H-pyrazol-...) Show SMILES CC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2ccnc2)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579731 (N-(4-((5-(4-(1H-imidazol-1- yl)phenyl)-1H-pyrazol-...) Show SMILES CS(=O)(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2ccnc2)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579710 (3-chloro-4-((5-(4- hydroxyphenyl)-1H-pyrazol-3- yl...) Show SMILES Oc1ccc(cc1)-c1cc(Nc2ccc(O)cc2Cl)n[nH]1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579798 (2-fluoro-4-((5-(4-hydroxyphenyl)- 1H-pyrazol-3-yl)...) Show SMILES Cc1cc(O)c(F)cc1Nc1cc([nH]n1)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579797 (4-((5-(4-(1H-pyrazol-1-yl)phenyl)- 1H-pyrazol-3-yl...) Show SMILES Cc1cc(O)c(F)cc1Nc1cc([nH]n1)-c1ccc(cc1)-n1cccn1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579713 (N-(4-((5-(4-(1H-pyrazol-1- yl)phenyl)-1H-pyrazol-3...) Show SMILES CC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2cccn2)c(C)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579702 (4-(3-((4-hydroxy-2- methylphenyl)amino)-1H- pyrazo...) Show SMILES Cc1cc(ccc1O)-c1cc(Nc2ccc(O)cc2C)n[nH]1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579712 (4-((5-(4-(1H-pyrazol-1- yl)phenyl)-1H-pyrazol-3- y...) Show SMILES CCc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)-n1cccn1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579726 (N-(4-((5-(3-fluoro-4- hydroxyphenyl)-1H-pyrazol-3-...) Show SMILES Cc1cc(NS(C)(=O)=O)ccc1Nc1cc([nH]n1)-c1ccc(O)c(F)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50592766 (CHEMBL5175785) Show SMILES COC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114582 BindingDB Entry DOI: 10.7270/Q28S4TW4
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579770 (1-(4-(3-((4-hydroxy-2- methylphenyl)amino)-1H- pyr...) Show SMILES Cc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(cc1)N1CCC1=O Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579804 (US11485711, Compound 281 | methyl (4-((5-(4-(1H-py...) Show SMILES COC(=O)Nc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-c2cn[nH]c2)c(C)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579727 (4-(3-((2-ethyl-4- hydroxyphenyl)amino)-1H- pyrazol...) Show SMILES CCc1cc(O)ccc1Nc1cc([nH]n1)-c1ccc(O)c(F)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM571722 (4-(3-((1H-indazol-5- yl)amino)-1H-pyrazol-5- yl)ph...) Show SMILES Oc1ccc(cc1)-c1cc(Nc2ccc3[nH]ncc3c2)n[nH]1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11447469-20220920-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q24X5C2H
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50592758 (CHEMBL5188138) Show SMILES CN(Cc1ccc(cc1)C(=O)NO)C(=O)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114582 BindingDB Entry DOI: 10.7270/Q28S4TW4
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM579733 (4-((5-(4-(1H-imidazol-1- yl)phenyl)-1H-pyrazol-3- ...) Show SMILES Oc1ccc(Nc2cc([nH]n2)-c2ccc(cc2)-n2ccnc2)c(c1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21R6VC2
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 841 total )  |  Next  |  Last  >>

Jump to: