Compile Data Set for Download or QSAR

Found 414 hits with Last Name = 'chang' 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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11542 ((1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:15:16:21:20.13.14,THB:17:16:13:20.21.18,17:18:16.15.22:13,19:18:16.15.22:13,15:14:16.22.17:21| Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.600	-52.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11541 ((1S,3S,5S)-2-[(2S)-2-(adamantan-1-yl)-2-aminoacety...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:19.20.18,17:18:16.15.21:13,15:14:16.21.17:20| Show InChI InChI=1S/C18H25N3O/c19-9-14-4-13-5-15(13)21(14)17(22)16(20)18-6-10-1-11(7-18)3-12(2-10)8-18/h10-16H,1-8,20H2/t10?,11?,12?,13-,14+,15+,16-,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.900	-51.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11530 ((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethenylcyclohexyl)...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCCC1)C=C |r| Show InChI InChI=1S/C16H23N3O/c1-2-16(6-4-3-5-7-16)14(18)15(20)19-12(10-17)8-11-9-13(11)19/h2,11-14H,1,3-9,18H2/t11-,12+,13+,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	-50.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11544 ((1S,3S,5S)-2-[(2S)-2-amino-2-(3-fluoroadamantan-1-...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(F)(C3)C1)C2 |r,TLB:15:16:14.20.13:21,THB:17:16:13:20.21.18,17:18:16.15.22:13,19:18:16.15.22:13,15:14:16.22.17:21| Show InChI InChI=1S/C18H24FN3O/c19-18-6-10-1-11(7-18)5-17(4-10,9-18)15(21)16(23)22-13(8-20)2-12-3-14(12)22/h10-15H,1-7,9,21H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	-49.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11543 ((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(O)(CC(O)(C3)C1)C2 |r,TLB:21:14:23:18.22.19,21:19:14.15.13:23,20:19:14.15.13:23,17:16:14.13.21:22,15:16:14.13.21:22,THB:15:14:22:18.23.16| Show InChI InChI=1S/C18H25N3O3/c19-6-12-1-11-2-13(11)21(12)15(22)14(20)16-3-10-4-17(23,7-16)9-18(24,5-10)8-16/h10-14,23-24H,1-5,7-9,20H2/t10?,11-,12+,13+,14-,16?,17?,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.10	-49.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11529 ((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethenylcyclopentyl...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCC1)C=C |r| Show InChI InChI=1S/C15H21N3O/c1-2-15(5-3-4-6-15)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h2,10-13H,1,3-8,17H2/t10-,11+,12+,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90	-47.5	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11535 ((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethylcyclopentyl)a...) Show SMILES CCC1(CCCC1)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r| Show InChI InChI=1S/C15H23N3O/c1-2-15(5-3-4-6-15)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h10-13H,2-8,17H2,1H3/t10-,11+,12+,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.5	-46.7	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11533 ((1S,3S,5S)-2-[(2S)-2-amino-3,3-dimethylpentanoyl]-...) Show SMILES CCC(C)(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r| Show InChI InChI=1S/C13H21N3O/c1-4-13(2,3)11(15)12(17)16-9(7-14)5-8-6-10(8)16/h8-11H,4-6,15H2,1-3H3/t8-,9+,10+,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.10	-46.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11538 ((1S,3S,5S)-2-[(2S)-2-amino-2-[1-(hydroxymethyl)cyc...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CO)CCCC1 |r| Show InChI InChI=1S/C14H21N3O2/c15-7-10-5-9-6-11(9)17(10)13(19)12(16)14(8-18)3-1-2-4-14/h9-12,18H,1-6,8,16H2/t9-,10+,11+,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	-45.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11539 ((1S,3S,5S)-2-[(2S)-2-amino-2-[1-(hydroxymethyl)cyc...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CO)CCCCC1 |r| Show InChI InChI=1S/C15H23N3O2/c16-8-11-6-10-7-12(10)18(11)14(20)13(17)15(9-19)4-2-1-3-5-15/h10-13,19H,1-7,9,17H2/t10-,11+,12+,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-45.7	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11531 ((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethenylcycloheptyl...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCCCC1)C=C |r| Show InChI InChI=1S/C17H25N3O/c1-2-17(7-5-3-4-6-8-17)15(19)16(21)20-13(11-18)9-12-10-14(12)20/h2,12-15H,1,3-10,19H2/t12-,13+,14+,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	-45.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11532 ((1S,3S,5S)-2-[(2S)-2-amino-2-(4-ethenyloxan-4-yl)a...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCOCC1)C=C |r| Show InChI InChI=1S/C15H21N3O2/c1-2-15(3-5-20-6-4-15)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h2,10-13H,1,3-8,17H2/t10-,11+,12+,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	-45.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11528 ((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethenylcyclobutyl)...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCC1)C=C |r| Show InChI InChI=1S/C14H19N3O/c1-2-14(4-3-5-14)12(16)13(18)17-10(8-15)6-9-7-11(9)17/h2,9-12H,1,3-7,16H2/t9-,10+,11+,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	-44.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11536 ((1S,3S,5S)-2-[(2S)-2-amino-2-(4-ethyloxan-4-yl)ace...) Show SMILES CCC1(CCOCC1)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r| Show InChI InChI=1S/C15H23N3O2/c1-2-15(3-5-20-6-4-15)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h10-13H,2-8,17H2,1H3/t10-,11+,12+,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	-43.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11527 ((1S,3S,5S)-2-[(2S)-2-amino-3,3-diethylpent-4-enoyl...) Show SMILES CCC(CC)(C=C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r| Show InChI InChI=1S/C15H23N3O/c1-4-15(5-2,6-3)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h4,10-13H,1,5-8,17H2,2-3H3/t10-,11+,12+,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	-43.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11534 ((1S,3S,5S)-2-[(2S)-2-amino-3,3-diethylpentanoyl]-2...) Show SMILES CCC(CC)(CC)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r| Show InChI InChI=1S/C15H25N3O/c1-4-15(5-2,6-3)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h10-13H,4-8,17H2,1-3H3/t10-,11+,12+,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31	-42.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11537 ((1S,3S,5S)-2-[(2S)-2-amino-2-[1-(hydroxymethyl)cyc...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CO)CCC1 |r| Show InChI InChI=1S/C13H19N3O2/c14-6-9-4-8-5-10(8)16(9)12(18)11(15)13(7-17)2-1-3-13/h8-11,17H,1-5,7,15H2/t8-,9+,10+,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11525 ((1S,3S,5S)-2-[(2S)-2-amino-3,3-dimethylpent-4-enoy...) Show SMILES CC(C)(C=C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r| Show InChI InChI=1S/C13H19N3O/c1-4-13(2,3)11(15)12(17)16-9(7-14)5-8-6-10(8)16/h4,8-11H,1,5-6,15H2,2-3H3/t8-,9+,10+,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	57	-40.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438750 (CHEMBL2414884) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C20H26F6N2O5/c21-19(22,23)12-5-11(6-13(8-12)20(24,25)26)7-16(31)27-3-1-2-4-28-9-15(30)18(33)17(32)14(28)10-29/h5-6,8,14-15,17-18,29-30,32-33H,1-4,7,9-10H2,(H,27,31)/t14-,15+,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11540 ((1S,3S,5S)-2-[(2S)-2-amino-2-[1-(1,2-dihydroxyethy...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCC1)C(O)CO |r| Show InChI InChI=1S/C15H23N3O3/c16-7-10-5-9-6-11(9)18(10)14(21)13(17)15(12(20)8-19)3-1-2-4-15/h9-13,19-20H,1-6,8,17H2/t9-,10+,11+,12?,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	143	-38.7	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438754 (CHEMBL2414880) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)CC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C25H32N2O5/c28-15-21-24(31)25(32)22(29)14-27(21)12-6-5-11-26-23(30)13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-22,24-25,28-29,31-32H,5-6,11-15H2,(H,26,30)/t21-,22+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438752 (CHEMBL2414882) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H38N2O5/c34-22-26-29(37)30(38)27(35)21-33(26)19-11-10-18-32-28(36)20-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,26-27,29-30,34-35,37-38H,10-11,18-22H2,(H,32,36)/t26-,27+,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438753 (CHEMBL2414881) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)C1CCc2ccccc2C1 |r| Show InChI InChI=1S/C21H32N2O5/c24-13-17-19(26)20(27)18(25)12-23(17)10-4-3-9-22-21(28)16-8-7-14-5-1-2-6-15(14)11-16/h1-2,5-6,16-20,24-27H,3-4,7-13H2,(H,22,28)/t16?,17-,18+,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438748 (CHEMBL2414879) Show SMILES COc1ccc2CCC(CC(=O)NCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)c2c1 |r| Show InChI InChI=1S/C22H34N2O6/c1-30-16-7-6-14-4-5-15(17(14)11-16)10-20(27)23-8-2-3-9-24-12-19(26)22(29)21(28)18(24)13-25/h6-7,11,15,18-19,21-22,25-26,28-29H,2-5,8-10,12-13H2,1H3,(H,23,27)/t15?,18-,19+,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Non-competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM18358 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...) Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438751 (CHEMBL2414883) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)COc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C18H26Cl2N2O6/c19-12-4-3-11(7-13(12)20)28-10-16(25)21-5-1-2-6-22-8-15(24)18(27)17(26)14(22)9-23/h3-4,7,14-15,17-18,23-24,26-27H,1-2,5-6,8-10H2,(H,21,25)/t14-,15+,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438749 (CHEMBL2414888) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H38N2O5/c34-21-26-29(37)30(38)27(22-35)33(26)19-11-10-18-32-28(36)20-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,26-27,29-30,34-35,37-38H,10-11,18-22H2,(H,32,36)/t26-,27-,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
ATP-dependent RNA helicase RhlE (Plasmodium falciparum (malaria parasite P. falcipa...)	BDBM13307 (1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...) Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1 Show InChI InChI=1S/C25H27N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h3-11,15,18-20H,12-13,16-17H2,1-2H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	37
Yale University					Assay Description Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...				J Med Chem 49: 5710-27 (2006) Article DOI: 10.1021/jm060081v BindingDB Entry DOI: 10.7270/Q2G44NJW
					More data for this Ligand-Target Pair
ATP-dependent RNA helicase RhlE (Plasmodium falciparum (malaria parasite P. falcipa...)	BDBM13311 (1-Methyl-1H-imidazole-4-sulfonic Acid {2-[(4-Cyano...) Show SMILES Cc1ccccc1CN(CCN(Cc1cncn1C)c1ccc(cc1)C#N)S(=O)(=O)c1cn(C)cn1 Show InChI InChI=1S/C26H29N7O2S/c1-21-6-4-5-7-23(21)16-33(36(34,35)26-18-30(2)20-29-26)13-12-32(17-25-15-28-19-31(25)3)24-10-8-22(14-27)9-11-24/h4-11,15,18-20H,12-13,16-17H2,1-3H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	37
Yale University					Assay Description Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...				J Med Chem 49: 5710-27 (2006) Article DOI: 10.1021/jm060081v BindingDB Entry DOI: 10.7270/Q2G44NJW
					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))	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))	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))	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
ATP-dependent RNA helicase RhlE (Plasmodium falciparum (malaria parasite P. falcipa...)	BDBM13309 (N-(2-{(4-bromophenyl)[(1-methyl-1H-imidazol-5-yl)m...) Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(Br)cc1)Cc1ccccn1 Show InChI InChI=1S/C23H26BrN7O2S/c1-28-16-23(27-18-28)34(32,33)31(14-20-5-3-4-10-26-20)12-11-30(15-22-13-25-17-29(22)2)21-8-6-19(24)7-9-21/h3-10,13,16-18H,11-12,14-15H2,1-2H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.5	37
Yale University					Assay Description Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...				J Med Chem 49: 5710-27 (2006) Article DOI: 10.1021/jm060081v BindingDB Entry DOI: 10.7270/Q2G44NJW
					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
ATP-dependent RNA helicase RhlE (Plasmodium falciparum (malaria parasite P. falcipa...)	BDBM13308 (N-benzyl-N-(2-{(4-bromophenyl)[(1-methyl-1H-imidaz...) Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(Br)cc1)Cc1ccccc1 Show InChI InChI=1S/C24H27BrN6O2S/c1-28-17-24(27-19-28)34(32,33)31(15-20-6-4-3-5-7-20)13-12-30(16-23-14-26-18-29(23)2)22-10-8-21(25)9-11-22/h3-11,14,17-19H,12-13,15-16H2,1-2H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	37
Yale University					Assay Description Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...				J Med Chem 49: 5710-27 (2006) Article DOI: 10.1021/jm060081v BindingDB Entry DOI: 10.7270/Q2G44NJW
					More data for this Ligand-Target Pair
ATP-dependent RNA helicase RhlE (Plasmodium falciparum (malaria parasite P. falcipa...)	BDBM13310 (N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)m...) Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccn1 Show InChI InChI=1S/C24H26N8O2S/c1-29-17-24(28-19-29)35(33,34)32(15-21-5-3-4-10-27-21)12-11-31(16-23-14-26-18-30(23)2)22-8-6-20(13-25)7-9-22/h3-10,14,17-19H,11-12,15-16H2,1-2H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	7.5	37
Yale University					Assay Description Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...				J Med Chem 49: 5710-27 (2006) Article DOI: 10.1021/jm060081v BindingDB Entry DOI: 10.7270/Q2G44NJW
					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
ATP-dependent RNA helicase RhlE (Plasmodium falciparum (malaria parasite P. falcipa...)	BDBM13315 (1-Methyl-1H-imidazole-4-sulfonic Acid {2-[(4-Cyano...) Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCCCC1 Show InChI InChI=1S/C25H33N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h8-11,15,18-20,22H,3-7,12-13,16-17H2,1-2H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	7.5	37
Yale University					Assay Description Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...				J Med Chem 49: 5710-27 (2006) Article DOI: 10.1021/jm060081v BindingDB Entry DOI: 10.7270/Q2G44NJW
					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
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))	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))	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
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus (rat))	BDBM13315 (1-Methyl-1H-imidazole-4-sulfonic Acid {2-[(4-Cyano...) Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCCCC1 Show InChI InChI=1S/C25H33N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h8-11,15,18-20,22H,3-7,12-13,16-17H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	7.5	37
Yale University					Assay Description Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...				J Med Chem 49: 5710-27 (2006) Article DOI: 10.1021/jm060081v BindingDB Entry DOI: 10.7270/Q2G44NJW
					More data for this Ligand-Target Pair

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