Compile Data Set for Download or QSAR

Found 571 hits with Last Name = 'kim' and Initial = 'ss'   

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
Dipeptidyl peptidase 4 (Sus scrofa (pig))	BDBM50206821 ((R)-3-amino-1-(2-benzoylpiperazin-1-yl)-4-(2,4,5-t...) Show SMILES N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C21H22F3N3O2/c22-17-13-19(24)18(23)11-15(17)10-16(25)12-20(28)26-8-4-5-9-27(26)21(29)14-6-2-1-3-7-14/h1-3,6-7,11,13,16H,4-5,8-10,12,25H2/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of pig kidney DPP4				Bioorg Med Chem Lett 17: 2622-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.111 BindingDB Entry DOI: 10.7270/Q21V5FS4
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Sus scrofa (pig))	BDBM50206820 ((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...) Show SMILES N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	56.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of pig kidney DPP4				Bioorg Med Chem Lett 17: 2622-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.111 BindingDB Entry DOI: 10.7270/Q21V5FS4
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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))	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))	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))	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))	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))	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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337787 ((R)-2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifluoroph...) Show SMILES CC(C)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337789 ((S)-2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifluoroph...) Show SMILES CC(C)[C@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337785 (2-(4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...) Show SMILES CC(C)C(Nc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23?,25?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					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
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50500613 (CHEMBL3752642) Show SMILES COc1cc(cc(OC)c1OC)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(C)C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C36H43N3O5/c1-23(2)24-15-17-28(18-16-24)39(33(40)21-26-22-37-30-14-10-9-13-29(26)30)34(36(41)38-27-11-7-6-8-12-27)25-19-31(42-3)35(44-5)32(20-25)43-4/h9-10,13-20,22-23,27,34,37H,6-8,11-12,21H2,1-5H3,(H,38,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of Cyclophilin A peptidyl-prolyl cis-trans isomerase activity (unknown origin) using Succ-Ala-Leu-Pro-Phe-p-nitroaniline as substrate by I...				J Med Chem 58: 9546-61 (2015) Article DOI: 10.1021/acs.jmedchem.5b01064 BindingDB Entry DOI: 10.7270/Q2RF5Z1V
					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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337779 (2-(4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...) Show SMILES CC(C)C(Oc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H30F3N3O5S/c1-14(2)23(26(35)36)37-18-5-3-15(4-6-18)13-31-24(34)25-32(7-8-38-25)22(33)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25H,7-9,11,13,30H2,1-2H3,(H,31,34)(H,35,36)/t17-,23?,25?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					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
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of Cyclophilin A peptidyl-prolyl cis-trans isomerase activity (unknown origin) using Succ-Ala-Leu-Pro-Phe-p-nitroaniline as substrate by I...				J Med Chem 58: 9546-61 (2015) Article DOI: 10.1021/acs.jmedchem.5b01064 BindingDB Entry DOI: 10.7270/Q2RF5Z1V
					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))	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))	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
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50102161 (1-{2-[4-(3,4-Dichloro-phenyl)-piperazin-1-yl]-2-ox...) Show SMILES COc1ncc(Cc2cn(CC(=O)N3CCN(CC3)c3ccc(Cl)c(Cl)c3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C29H27Cl2FN6O3S/c1-41-28-33-14-20(15-34-28)12-21-16-38(29(35-27(21)40)42-18-19-2-4-22(32)5-3-19)17-26(39)37-10-8-36(9-11-37)23-6-7-24(30)25(31)13-23/h2-7,13-16H,8-12,17-18H2,1H3	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	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
National Research Laboratory of Lipid Metabolism and Atherosclerosis Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Lp-PLA2				Bioorg Med Chem Lett 15: 1525-7 (2005) Article DOI: 10.1016/j.bmcl.2004.11.063 BindingDB Entry DOI: 10.7270/Q28915CK
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50102161 (1-{2-[4-(3,4-Dichloro-phenyl)-piperazin-1-yl]-2-ox...) Show SMILES COc1ncc(Cc2cn(CC(=O)N3CCN(CC3)c3ccc(Cl)c(Cl)c3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C29H27Cl2FN6O3S/c1-41-28-33-14-20(15-34-28)12-21-16-38(29(35-27(21)40)42-18-19-2-4-22(32)5-3-19)17-26(39)37-10-8-36(9-11-37)23-6-7-24(30)25(31)13-23/h2-7,13-16H,8-12,17-18H2,1H3	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	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
National Research Laboratory of Lipid Metabolism and Atherosclerosis Curated by ChEMBL					Assay Description In vitro inhibitory activity against human lipoprotein-associated phospholiphase A2				Bioorg Med Chem Lett 15: 1525-7 (2005) Article DOI: 10.1016/j.bmcl.2004.11.063 BindingDB Entry DOI: 10.7270/Q28915CK
					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
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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337791 ((R)-2-(4-(((R)-3-((R)-3-amino-4-(2,4,5-trifluoroph...) Show SMILES CC(C)[C@@H](Nc1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50500614 (CHEMBL3754544) Show SMILES COc1ccc(CCC(=O)N(C(C(=O)NC2CCCCC2)c2ccc(cc2)[N+]([O-])=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C30H32BrN3O5/c1-39-27-18-7-21(8-19-27)9-20-28(35)33(25-16-12-23(31)13-17-25)29(22-10-14-26(15-11-22)34(37)38)30(36)32-24-5-3-2-4-6-24/h7-8,10-19,24,29H,2-6,9,20H2,1H3,(H,32,36)	PDB MMDB 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
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of Cyclophilin A peptidyl-prolyl cis-trans isomerase activity (unknown origin) using Succ-Ala-Leu-Pro-Phe-p-nitroaniline as substrate by I...				J Med Chem 58: 9546-61 (2015) Article DOI: 10.1021/acs.jmedchem.5b01064 BindingDB Entry DOI: 10.7270/Q2RF5Z1V
					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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337783 (2-(4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...) Show SMILES CC(C)(Nc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C25H29F3N4O4S/c1-25(2,24(35)36)31-17-5-3-14(4-6-17)13-30-22(34)23-32(7-8-37-23)21(33)11-16(29)9-15-10-19(27)20(28)12-18(15)26/h3-6,10,12,16,23,31H,7-9,11,13,29H2,1-2H3,(H,30,34)(H,35,36)/t16-,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337793 ((S)-2-(4-(((R)-3-((R)-3-amino-4-(2,4,5-trifluoroph...) Show SMILES CC(C)[C@H](Nc1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					More data for this Ligand-Target Pair
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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337788 ((R)-ethyl 2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifl...) Show SMILES CCOC(=O)[C@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(C)C |r| Show InChI InChI=1S/C28H35F3N4O4S/c1-4-39-28(38)25(16(2)3)34-20-7-5-17(6-8-20)15-33-26(37)27-35(9-10-40-27)24(36)13-19(32)11-18-12-22(30)23(31)14-21(18)29/h5-8,12,14,16,19,25,27,34H,4,9-11,13,15,32H2,1-3H3,(H,33,37)/t19-,25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11162 ((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Anoctamin-1 (Homo sapiens (Human))	BDBM50503445 (CHEMBL4445544 | US11274074, Example 1 [Chemical Fo...) Show SMILES Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccc1OC(F)(F)F Show InChI InChI=1S/C17H14ClF3N2O3/c1-11-8-13(18)6-7-14(11)25-10-16(24)23-22-9-12-4-2-3-5-15(12)26-17(19,20)21/h2-9H,10H2,1H3,(H,23,24)/b22-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University Curated by ChEMBL					Assay Description Inhibition of YFP-fused ANO1 (unknown origin) expressed in FRT cells after 20 mins by fluorescence quenching method				Eur J Med Chem 160: 245-255 (2018) Article DOI: 10.1016/j.ejmech.2018.10.002 BindingDB Entry DOI: 10.7270/Q24T6NMB
					More data for this Ligand-Target Pair

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