Compile Data Set for Download or QSAR

Found 493 hits with Last Name = 'beebe' and Initial = 'd'   

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 (Rattus norvegicus (rat))	BDBM50338518 (1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...) Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma				Bioorg Med Chem Lett 21: 1810-4 (2011) Article DOI: 10.1016/j.bmcl.2011.01.055 BindingDB Entry DOI: 10.7270/Q28W3DM7
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50338518 (1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...) Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 21: 1810-4 (2011) Article DOI: 10.1016/j.bmcl.2011.01.055 BindingDB Entry DOI: 10.7270/Q28W3DM7
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119679 (2-[(S)-2-(2-{2-[4-(2-Bromo-acetyl)-phenoxy]-acetyl...) Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)COc1ccc(cc1)C(=O)CBr)C(O)=O Show InChI InChI=1S/C22H26BrN3O11/c23-9-16(27)12-1-3-13(4-2-12)37-11-18(29)24-10-17(28)25-14(5-7-19(30)31)21(34)26-15(22(35)36)6-8-20(32)33/h1-4,14-15H,5-11H2,(H,24,29)(H,25,28)(H,26,34)(H,30,31)(H,32,33)(H,35,36)/t14-,15?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119683 (2-[(S)-2-(2-{[4'-(2-Bromo-acetyl)-biphenyl-2-carbo...) Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)c1ccccc1-c1ccc(cc1)C(=O)CBr)C(O)=O Show InChI InChI=1S/C27H28BrN3O10/c28-13-21(32)16-7-5-15(6-8-16)17-3-1-2-4-18(17)25(38)29-14-22(33)30-19(9-11-23(34)35)26(39)31-20(27(40)41)10-12-24(36)37/h1-8,19-20H,9-14H2,(H,29,38)(H,30,33)(H,31,39)(H,34,35)(H,36,37)(H,40,41)/t19-,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119685 (2-Bromo-1-(4-trifluoromethyl-phenyl)-ethanone | CH...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C9H6BrF3O/c10-5-8(14)6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM7880 (2-bromo-1-(4-phenylphenyl)ethan-1-one | CHEMBL4130...) Show SMILES BrCC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C14H11BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119682 (2-Bromo-1-naphthalen-2-yl-ethanone | CHEMBL101423) Show SMILES BrCC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6 (Homo sapiens (Human))	BDBM50119679 (2-[(S)-2-(2-{2-[4-(2-Bromo-acetyl)-phenoxy]-acetyl...) Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)COc1ccc(cc1)C(=O)CBr)C(O)=O Show InChI InChI=1S/C22H26BrN3O11/c23-9-16(27)12-1-3-13(4-2-12)37-11-18(29)24-10-17(28)25-14(5-7-19(30)31)21(34)26-15(22(35)36)6-8-20(32)33/h1-4,14-15H,5-11H2,(H,24,29)(H,25,28)(H,26,34)(H,30,31)(H,32,33)(H,35,36)/t14-,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Homo sapiens (Human))	BDBM50338518 (1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...) Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of FAP				Bioorg Med Chem Lett 21: 1810-4 (2011) Article DOI: 10.1016/j.bmcl.2011.01.055 BindingDB Entry DOI: 10.7270/Q28W3DM7
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50338518 (1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...) Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 21: 1810-4 (2011) Article DOI: 10.1016/j.bmcl.2011.01.055 BindingDB Entry DOI: 10.7270/Q28W3DM7
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50338518 (1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...) Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of POP				Bioorg Med Chem Lett 21: 1810-4 (2011) Article DOI: 10.1016/j.bmcl.2011.01.055 BindingDB Entry DOI: 10.7270/Q28W3DM7
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 3 (Homo sapiens (Human))	BDBM50338518 (1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...) Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of DPP3				Bioorg Med Chem Lett 21: 1810-4 (2011) Article DOI: 10.1016/j.bmcl.2011.01.055 BindingDB Entry DOI: 10.7270/Q28W3DM7
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (Homo sapiens (Human))	BDBM50338518 (1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...) Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of DPP2				Bioorg Med Chem Lett 21: 1810-4 (2011) Article DOI: 10.1016/j.bmcl.2011.01.055 BindingDB Entry DOI: 10.7270/Q28W3DM7
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119687 (2-Bromo-1-(4-hydroxy-phenyl)-ethanone | CHEMBL1029...) Show SMILES Oc1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119681 (2-Bromo-1-(4-fluoro-phenyl)-ethanone | CHEMBL31704...) Show SMILES Fc1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C8H6BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM7875 (2-bromo-1-phenylethan-1-one | CHEMBL102953 | Halom...) Show SMILES BrCC(=O)c1ccccc1 Show InChI InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119686 (2-Bromo-1-naphthalen-1-yl-ethanone | CHEMBL320836) Show SMILES BrCC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C12H9BrO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM7879 (2-bromo-1-(4-methoxyphenyl)ethan-1-one | CHEMBL103...) Show SMILES COc1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119689 (2-Bromo-1-pyridin-2-yl-ethanone | 2-bromo-1-(pyrid...) Show SMILES BrCC(=O)c1ccccn1 Show InChI InChI=1S/C7H6BrNO/c8-5-7(10)6-3-1-2-4-9-6/h1-4H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.73E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119692 (CHEMBL104927 | [4-(2-Bromo-acetyl)-phenoxy]-acetic...) Show SMILES OC(=O)COc1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C10H9BrO4/c11-5-9(12)7-1-3-8(4-2-7)15-6-10(13)14/h1-4H,5-6H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.93E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119691 (2-Bromo-1-(4-nitro-phenyl)-ethanone | CHEMBL106072) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C8H6BrNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	1.95E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6 (Homo sapiens (Human))	BDBM50119683 (2-[(S)-2-(2-{[4'-(2-Bromo-acetyl)-biphenyl-2-carbo...) Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)c1ccccc1-c1ccc(cc1)C(=O)CBr)C(O)=O Show InChI InChI=1S/C27H28BrN3O10/c28-13-21(32)16-7-5-15(6-8-16)17-3-1-2-4-18(17)25(38)29-14-22(33)30-19(9-11-23(34)35)26(39)31-20(27(40)41)10-12-24(36)37/h1-8,19-20H,9-14H2,(H,29,38)(H,30,33)(H,31,39)(H,34,35)(H,36,37)(H,40,41)/t19-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119695 (4'-(2-Bromo-acetyl)-biphenyl-2-carboxylic acid | C...) Show SMILES OC(=O)c1ccccc1-c1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C15H11BrO3/c16-9-14(17)11-7-5-10(6-8-11)12-3-1-2-4-13(12)15(18)19/h1-8H,9H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119680 (2-Chloro-1-(4-fluoro-phenyl)-ethanone | CHEMBL1050...) Show SMILES Fc1ccc(cc1)C(=O)CCl Show InChI InChI=1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM7873 (2-chloro-1-phenylethan-1-one | CHEMBL105712 | Halo...) Show SMILES ClCC(=O)c1ccccc1 Show InChI InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	4.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119694 (2-[(S)-2-(2-{2-[4-(2-Bromo-acetyl)-phenoxy]-acetyl...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#6]Br)-[#6](-[#8])=O Show InChI InChI=1S/C24H36BrN9O7/c25-11-18(35)14-5-7-15(8-6-14)41-13-20(37)32-12-19(36)33-16(3-1-9-30-23(26)27)21(38)34-17(22(39)40)4-2-10-31-24(28)29/h5-8,16-17H,1-4,9-13H2,(H,32,37)(H,33,36)(H,34,38)(H,39,40)(H4,26,27,30)(H4,28,29,31)/t16-,17?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119688 (2-chloro-1-(3,4-dihydroxyphenyl)ethanone | 2-chlor...) Show SMILES Oc1ccc(cc1O)C(=O)CCl Show InChI InChI=1S/C8H7ClO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	1.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119684 (CHEMBL319676 | [4-(2-Chloro-acetyl)-phenoxy]-aceti...) Show SMILES OC(=O)COc1ccc(cc1)C(=O)CCl Show InChI InChI=1S/C10H9ClO4/c11-5-9(12)7-1-3-8(4-2-7)15-6-10(13)14/h1-4H,5-6H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119690 (2-Chloro-1-(2,4-difluoro-phenyl)-ethanone | CHEMBL...) Show SMILES Fc1ccc(C(=O)CCl)c(F)c1 Show InChI InChI=1S/C8H5ClF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.75E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119693 (2-BROMOACETYL GROUP | 2-bromoacetic acid | Bromo-a...) Show SMILES OC(=O)CBr Show InChI InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid UniChem Patents	PubMed	7.70E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 46: 2283-6 (2003) Article DOI: 10.1021/jm034065z BindingDB Entry DOI: 10.7270/Q2NV9GGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50338507 ((3R,4S)-1-(6-(6,7-dihydroisoxazolo[4,3-c]pyridin-5...) Show SMILES N[C@H]1CN(C[C@@H]1c1ccccc1)c1cc(ncn1)N1CCc2nocc2C1 |r| Show InChI InChI=1S/C20H22N6O/c21-17-11-26(10-16(17)14-4-2-1-3-5-14)20-8-19(22-13-23-20)25-7-6-18-15(9-25)12-27-24-18/h1-5,8,12-13,16-17H,6-7,9-11,21H2/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 21: 1810-4 (2011) Article DOI: 10.1016/j.bmcl.2011.01.055 BindingDB Entry DOI: 10.7270/Q28W3DM7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50439646 (CHEMBL2419600 | US8993586, 110) Show SMILES CCCNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C Show InChI InChI=1S/C27H34N6O2/c1-5-12-28-22-9-8-18-6-7-19(15-21(18)29-22)25(35)32-13-10-27(11-14-32)16-20-17-33(26(2,3)4)31-23(20)24(34)30-27/h6-9,15,17H,5,10-14,16H2,1-4H3,(H,28,29)(H,30,34)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...				J Med Chem 56: 7110-9 (2013) Article DOI: 10.1021/jm401033t BindingDB Entry DOI: 10.7270/Q2JW8G9D
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50439646 (CHEMBL2419600 | US8993586, 110) Show SMILES CCCNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C Show InChI InChI=1S/C27H34N6O2/c1-5-12-28-22-9-8-18-6-7-19(15-21(18)29-22)25(35)32-13-10-27(11-14-32)16-20-17-33(26(2,3)4)31-23(20)24(34)30-27/h6-9,15,17H,5,10-14,16H2,1-4H3,(H,28,29)(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC1 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...				J Med Chem 56: 7110-9 (2013) Article DOI: 10.1021/jm401033t BindingDB Entry DOI: 10.7270/Q2JW8G9D
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50439642 (CHEMBL2419589 | US8993586, 105) Show SMILES CN(C)c1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C Show InChI InChI=1S/C26H32N6O2/c1-25(2,3)32-16-19-15-26(28-23(33)22(19)29-32)10-12-31(13-11-26)24(34)18-7-6-17-8-9-21(30(4)5)27-20(17)14-18/h6-9,14,16H,10-13,15H2,1-5H3,(H,28,33)	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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...				J Med Chem 56: 7110-9 (2013) Article DOI: 10.1021/jm401033t BindingDB Entry DOI: 10.7270/Q2JW8G9D
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16633 (6-[(5-fluoro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) Show SMILES Cc1c(oc2ccc(F)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9FN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50439644 (CHEMBL2419593 | US8993586, 86) Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4c(Cl)c[nH]c4c3)NC(=O)c2n1 Show InChI InChI=1S/C23H26ClN5O2/c1-22(2,3)29-13-15-11-23(26-20(30)19(15)27-29)6-8-28(9-7-23)21(31)14-4-5-16-17(24)12-25-18(16)10-14/h4-5,10,12-13,25H,6-9,11H2,1-3H3,(H,26,30)	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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...				J Med Chem 56: 7110-9 (2013) Article DOI: 10.1021/jm401033t BindingDB Entry DOI: 10.7270/Q2JW8G9D
					More data for this Ligand-Target Pair
Sorbitol dehydrogenase (Homo sapiens (Human))	BDBM50118710 (1-(4-{4-[2-(2,4-Dimethyl-imidazol-1-yl)-pyrimidin-...) Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1ccnc(n1)-n1cc(C)nc1C Show InChI InChI=1S/C21H28N8O/c1-13-10-28(17(5)24-13)21-23-9-6-18(26-21)27-11-14(2)29(15(3)12-27)19-7-8-22-20(25-19)16(4)30/h6-10,14-16,30H,11-12H2,1-5H3/t14-,15+,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Concentration required for 50% for in vitro activity against human SDH (sorbitol dehydrogenase)				J Med Chem 45: 4398-401 (2002) BindingDB Entry DOI: 10.7270/Q2V69HZM
					More data for this Ligand-Target Pair
Sorbitol dehydrogenase (Homo sapiens (Human))	BDBM50118706 ((S)-1-(4-{2,6-Dimethyl-4-[2-(4-methyl-piperazin-1-...) Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1ccnc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C21H32N8O/c1-15-13-28(14-16(2)29(15)19-6-7-22-20(24-19)17(3)30)18-5-8-23-21(25-18)27-11-9-26(4)10-12-27/h5-8,15-17,30H,9-14H2,1-4H3/t15-,16+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Concentration required for 50% for in vitro activity against human SDH (sorbitol dehydrogenase)				J Med Chem 45: 4398-401 (2002) BindingDB Entry DOI: 10.7270/Q2V69HZM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 46: 2283-6 (2003) Article DOI: 10.1021/jm034065z BindingDB Entry DOI: 10.7270/Q2NV9GGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50439634 (CHEMBL2419596 | US8993586, 71) Show SMILES COc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-14-25(27-22(31)21(18)28-30)9-11-29(12-10-25)23(32)17-6-5-16-7-8-20(33-4)26-19(16)13-17/h5-8,13,15H,9-12,14H2,1-4H3,(H,27,31)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...				J Med Chem 56: 7110-9 (2013) Article DOI: 10.1021/jm401033t BindingDB Entry DOI: 10.7270/Q2JW8G9D
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50278106 ((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...) Show SMILES Cc1cc2ncc(C(=O)N3CCC(CC3)[C@H](N)Cc3cc(F)c(F)cc3F)c(C)n2n1 |r| Show InChI InChI=1S/C22H24F3N5O/c1-12-7-21-27-11-16(13(2)30(21)28-12)22(31)29-5-3-14(4-6-29)20(26)9-15-8-18(24)19(25)10-17(15)23/h7-8,10-11,14,20H,3-6,9,26H2,1-2H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 19: 2220-3 (2009) Article DOI: 10.1016/j.bmcl.2009.02.099 BindingDB Entry DOI: 10.7270/Q2RN37QF
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50439643 (CHEMBL2419598 | US8993586, 76) Show SMILES CNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C Show InChI InChI=1S/C25H30N6O2/c1-24(2,3)31-15-18-14-25(28-22(32)21(18)29-31)9-11-30(12-10-25)23(33)17-6-5-16-7-8-20(26-4)27-19(16)13-17/h5-8,13,15H,9-12,14H2,1-4H3,(H,26,27)(H,28,32)	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...				J Med Chem 56: 7110-9 (2013) Article DOI: 10.1021/jm401033t BindingDB Entry DOI: 10.7270/Q2JW8G9D
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50439641 (CHEMBL2419597 | US8993586, 55) Show SMILES COc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C Show InChI InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-14-25(27-21(31)20(18)28-30)8-11-29(12-9-25)23(32)17-6-5-16-7-10-26-22(33-4)19(16)13-17/h5-7,10,13,15H,8-9,11-12,14H2,1-4H3,(H,27,31)	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...				J Med Chem 56: 7110-9 (2013) Article DOI: 10.1021/jm401033t BindingDB Entry DOI: 10.7270/Q2JW8G9D
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50439645 (CHEMBL2419607) Show SMILES CCC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)NC(=O)c2n1 Show InChI InChI=1S/C25H32N6O2/c1-6-24(4,5)31-14-18-13-25(26-22(32)21(18)29-31)7-9-30(10-8-25)23(33)17-11-15(2)20-19(12-17)16(3)27-28-20/h11-12,14H,6-10,13H2,1-5H3,(H,26,32)(H,27,28)	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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...				J Med Chem 56: 7110-9 (2013) Article DOI: 10.1021/jm401033t BindingDB Entry DOI: 10.7270/Q2JW8G9D
					More data for this Ligand-Target Pair
Sorbitol dehydrogenase (Rattus norvegicus)	BDBM50113497 (1-(4-{(2S,6R)-4-[2-((R)-1-Hydroxy-ethyl)-pyrimidin...) Show SMILES C[C@@H](O)c1nccc(n1)N1C[C@H](C)N([C@H](C)C1)c1ccnc(n1)C(C)=O Show InChI InChI=1S/C18H24N6O2/c1-11-9-23(15-5-7-19-17(21-15)13(3)25)10-12(2)24(11)16-6-8-20-18(22-16)14(4)26/h5-8,11-13,25H,9-10H2,1-4H3/t11-,12+,13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant rat sorbitol dehydrogenase				Bioorg Med Chem Lett 12: 1477-80 (2002) BindingDB Entry DOI: 10.7270/Q2XS5TPQ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50439635 (CHEMBL2419594 | US8993586, 88) Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3cnc4c(Cl)c[nH]c4c3)NC(=O)c2n1 Show InChI InChI=1S/C22H25ClN6O2/c1-21(2,3)29-12-14-9-22(26-19(30)17(14)27-29)4-6-28(7-5-22)20(31)13-8-16-18(25-10-13)15(23)11-24-16/h8,10-12,24H,4-7,9H2,1-3H3,(H,26,30)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...				J Med Chem 56: 7110-9 (2013) Article DOI: 10.1021/jm401033t BindingDB Entry DOI: 10.7270/Q2JW8G9D
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16634 (6-{[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-]s...) Show SMILES Cc1c(oc2ccc(cc12)C(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C14H9F3N2O4S/c1-7-9-6-8(14(15,16)17)2-3-10(9)23-13(7)24(21,22)12-5-4-11(20)18-19-12/h2-6H,1H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Sorbitol dehydrogenase (Rattus norvegicus)	BDBM50118709 (1-{4-[2,6-Dimethyl-4-(4-methyl-[1,3,5]triazin-2-yl...) Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1ncnc(C)n1 Show InChI InChI=1S/C16H23N7O/c1-10-7-22(16-19-9-18-13(4)20-16)8-11(2)23(10)14-5-6-17-15(21-14)12(3)24/h5-6,9-12,24H,7-8H2,1-4H3/t10-,11+,12-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Concentration required for 50% in vitro activity against rat SDH (sorbitol dehydrogenase)				J Med Chem 45: 4398-401 (2002) BindingDB Entry DOI: 10.7270/Q2V69HZM
					More data for this Ligand-Target Pair

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