Compile Data Set for Download or QSAR

Found 359 hits with Last Name = 'slater' and Initial = 'm'   

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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121409 (CHEMBL118206 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121424 (CHEMBL119111 | Lithium; 5-(6-chloro-pyrazin-2-ylox...) Show SMILES [O-]C(=O)c1cc(Oc2cncc(Cl)n2)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H10Cl3N3O4/c19-9-1-3-11(13(20)5-9)17(25)23-14-4-2-10(6-12(14)18(26)27)28-16-8-22-7-15(21)24-16/h1-8H,(H,23,25)(H,26,27)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121420 (CHEMBL330938 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(Oc2ncccc2[N+]([O-])=O)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H11Cl2N3O6/c20-10-3-5-12(14(21)8-10)17(25)23-15-6-4-11(9-13(15)19(26)27)30-18-16(24(28)29)2-1-7-22-18/h1-9H,(H,23,25)(H,26,27)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121421 (CHEMBL118546 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(Oc2ccc(cn2)[N+]([O-])=O)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H11Cl2N3O6/c20-10-1-4-13(15(21)7-10)18(25)23-16-5-3-12(8-14(16)19(26)27)30-17-6-2-11(9-22-17)24(28)29/h1-9H,(H,23,25)(H,26,27)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121422 (CHEMBL119869 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(OCc2cccs2)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H13Cl2NO4S/c20-11-3-5-14(16(21)8-11)18(23)22-17-6-4-12(9-15(17)19(24)25)26-10-13-2-1-7-27-13/h1-9H,10H2,(H,22,23)(H,24,25)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121415 (CHEMBL119030 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(ccc1NC(=O)c1ccc(Cl)cc1Cl)-c1ccco1 Show InChI InChI=1S/C18H11Cl2NO4/c19-11-4-5-12(14(20)9-11)17(22)21-15-6-3-10(8-13(15)18(23)24)16-2-1-7-25-16/h1-9H,(H,21,22)(H,23,24)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121414 (CHEMBL333890 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(OCCc2ccsc2)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H15Cl2NO4S/c21-13-1-3-15(17(22)9-13)19(24)23-18-4-2-14(10-16(18)20(25)26)27-7-5-12-6-8-28-11-12/h1-4,6,8-11H,5,7H2,(H,23,24)(H,25,26)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121418 (CHEMBL119078 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(ccc1NC(=O)c1ccc(Cl)cc1Cl)-c1cccc2cccnc12 Show InChI InChI=1S/C23H14Cl2N2O3/c24-15-7-8-17(19(25)12-15)22(28)27-20-9-6-14(11-18(20)23(29)30)16-5-1-3-13-4-2-10-26-21(13)16/h1-12H,(H,27,28)(H,29,30)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121411 (CHEMBL118617 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(ccc1NC(=O)c1ccc(Cl)cc1Cl)-c1ccsc1 Show InChI InChI=1S/C18H11Cl2NO3S/c19-12-2-3-13(15(20)8-12)17(22)21-16-4-1-10(7-14(16)18(23)24)11-5-6-25-9-11/h1-9H,(H,21,22)(H,23,24)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121423 (CHEMBL119278 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(OCCc2cccs2)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H15Cl2NO4S/c21-12-3-5-15(17(22)10-12)19(24)23-18-6-4-13(11-16(18)20(25)26)27-8-7-14-2-1-9-28-14/h1-6,9-11H,7-8H2,(H,23,24)(H,25,26)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121413 (CHEMBL118852 | Lithium; 4-(2,4-dichloro-benzoylami...) Show SMILES CCOc1cccc(c1)-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(c1)C([O-])=O Show InChI InChI=1S/C22H17Cl2NO4/c1-2-29-16-5-3-4-13(10-16)14-6-9-20(18(11-14)22(27)28)25-21(26)17-8-7-15(23)12-19(17)24/h3-12H,2H2,1H3,(H,25,26)(H,27,28)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121416 (CHEMBL325172 | Lithium; 3'-carboxy-4-(2,4-dichloro...) Show SMILES OC(=O)c1cccc(c1)-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(c1)C([O-])=O Show InChI InChI=1S/C21H13Cl2NO5/c22-14-5-6-15(17(23)10-14)19(25)24-18-7-4-12(9-16(18)21(28)29)11-2-1-3-13(8-11)20(26)27/h1-10H,(H,24,25)(H,26,27)(H,28,29)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Transactivation potency was measured by luciferase activity in Caco- 2/TC7 cells transiently co-transfected for the fusion-protein Gal4-PPAR alpha				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121410 (CHEMBL420525 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(OCCc2ccccn2)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H16Cl2N2O4/c22-13-4-6-16(18(23)11-13)20(26)25-19-7-5-15(12-17(19)21(27)28)29-10-8-14-3-1-2-9-24-14/h1-7,9,11-12H,8,10H2,(H,25,26)(H,27,28)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121417 (CHEMBL119646 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES CSCCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(c1)C([O-])=O Show InChI InChI=1S/C17H15Cl2NO4S/c1-25-7-6-24-11-3-5-15(13(9-11)17(22)23)20-16(21)12-4-2-10(18)8-14(12)19/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H,22,23)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121412 (2-(2,4-Dichloro-benzoylamino)-5-methyl-benzoic aci...) Show SMILES Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(c1)C(O)=O Show InChI InChI=1S/C15H11Cl2NO3/c1-8-2-5-13(11(6-8)15(20)21)18-14(19)10-4-3-9(16)7-12(10)17/h2-7H,1H3,(H,18,19)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50121419 (CHEMBL119798 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES CCOc1ccc(COc2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(c2)C([O-])=O)cc1 Show InChI InChI=1S/C23H19Cl2NO5/c1-2-30-16-6-3-14(4-7-16)13-31-17-8-10-21(19(12-17)23(28)29)26-22(27)18-9-5-15(24)11-20(18)25/h3-12H,2,13H2,1H3,(H,26,27)(H,28,29)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121417 (CHEMBL119646 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES CSCCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(c1)C([O-])=O Show InChI InChI=1S/C17H15Cl2NO4S/c1-25-7-6-24-11-3-5-15(13(9-11)17(22)23)20-16(21)12-4-2-10(18)8-14(12)19/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H,22,23)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121414 (CHEMBL333890 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(OCCc2ccsc2)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H15Cl2NO4S/c21-13-1-3-15(17(22)9-13)19(24)23-18-4-2-14(10-16(18)20(25)26)27-7-5-12-6-8-28-11-12/h1-4,6,8-11H,5,7H2,(H,23,24)(H,25,26)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Transactivation potency was measured by luciferase activity in Caco- 2/TC7 cells transiently co-transfected for the fusion-protein Gal4-PPAR alpha				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121424 (CHEMBL119111 | Lithium; 5-(6-chloro-pyrazin-2-ylox...) Show SMILES [O-]C(=O)c1cc(Oc2cncc(Cl)n2)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H10Cl3N3O4/c19-9-1-3-11(13(20)5-9)17(25)23-14-4-2-10(6-12(14)18(26)27)28-16-8-22-7-15(21)24-16/h1-8H,(H,23,25)(H,26,27)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121415 (CHEMBL119030 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(ccc1NC(=O)c1ccc(Cl)cc1Cl)-c1ccco1 Show InChI InChI=1S/C18H11Cl2NO4/c19-11-4-5-12(14(20)9-11)17(22)21-15-6-3-10(8-13(15)18(23)24)16-2-1-7-25-16/h1-9H,(H,21,22)(H,23,24)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121422 (CHEMBL119869 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(OCc2cccs2)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H13Cl2NO4S/c20-11-3-5-14(16(21)8-11)18(23)22-17-6-4-12(9-15(17)19(24)25)26-10-13-2-1-7-27-13/h1-9H,10H2,(H,22,23)(H,24,25)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121411 (CHEMBL118617 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(ccc1NC(=O)c1ccc(Cl)cc1Cl)-c1ccsc1 Show InChI InChI=1S/C18H11Cl2NO3S/c19-12-2-3-13(15(20)8-12)17(22)21-16-4-1-10(7-14(16)18(23)24)11-5-6-25-9-11/h1-9H,(H,21,22)(H,23,24)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121412 (2-(2,4-Dichloro-benzoylamino)-5-methyl-benzoic aci...) Show SMILES Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(c1)C(O)=O Show InChI InChI=1S/C15H11Cl2NO3/c1-8-2-5-13(11(6-8)15(20)21)18-14(19)10-4-3-9(16)7-12(10)17/h2-7H,1H3,(H,18,19)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121416 (CHEMBL325172 | Lithium; 3'-carboxy-4-(2,4-dichloro...) Show SMILES OC(=O)c1cccc(c1)-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(c1)C([O-])=O Show InChI InChI=1S/C21H13Cl2NO5/c22-14-5-6-15(17(23)10-14)19(25)24-18-7-4-12(9-16(18)21(28)29)11-2-1-3-13(8-11)20(26)27/h1-10H,(H,24,25)(H,26,27)(H,28,29)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Transactivation potency was measured by luciferase activity in Caco- 2/TC7 cells transiently co-transfected for the fusion-protein Gal4-PPAR alpha				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121418 (CHEMBL119078 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(ccc1NC(=O)c1ccc(Cl)cc1Cl)-c1cccc2cccnc12 Show InChI InChI=1S/C23H14Cl2N2O3/c24-15-7-8-17(19(25)12-15)22(28)27-20-9-6-14(11-18(20)23(29)30)16-5-1-3-13-4-2-10-26-21(13)16/h1-12H,(H,27,28)(H,29,30)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Transactivation potency was measured by luciferase activity in Caco- 2/TC7 cells transiently co-transfected for the fusion-protein Gal4-PPAR alpha				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121420 (CHEMBL330938 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(Oc2ncccc2[N+]([O-])=O)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H11Cl2N3O6/c20-10-3-5-12(14(21)8-10)17(25)23-15-6-4-11(9-13(15)19(26)27)30-18-16(24(28)29)2-1-7-22-18/h1-9H,(H,23,25)(H,26,27)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Transactivation potency was measured by luciferase activity in Caco- 2/TC7 cells transiently co-transfected for the fusion-protein Gal4-PPAR gamma				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121413 (CHEMBL118852 | Lithium; 4-(2,4-dichloro-benzoylami...) Show SMILES CCOc1cccc(c1)-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(c1)C([O-])=O Show InChI InChI=1S/C22H17Cl2NO4/c1-2-29-16-5-3-4-13(10-16)14-6-9-20(18(11-14)22(27)28)25-21(26)17-8-7-15(23)12-19(17)24/h3-12H,2H2,1H3,(H,25,26)(H,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121421 (CHEMBL118546 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(Oc2ccc(cn2)[N+]([O-])=O)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H11Cl2N3O6/c20-10-1-4-13(15(21)7-10)18(25)23-16-5-3-12(8-14(16)19(26)27)30-17-6-2-11(9-22-17)24(28)29/h1-9H,(H,23,25)(H,26,27)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Transactivation potency was measured by luciferase activity in Caco- 2/TC7 cells transiently co-transfected for the fusion-protein Gal4-PPAR gamma				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121419 (CHEMBL119798 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES CCOc1ccc(COc2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(c2)C([O-])=O)cc1 Show InChI InChI=1S/C23H19Cl2NO5/c1-2-30-16-6-3-14(4-7-16)13-31-17-8-10-21(19(12-17)23(28)29)26-22(27)18-9-5-15(24)11-20(18)25/h3-12H,2,13H2,1H3,(H,26,27)(H,28,29)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121410 (CHEMBL420525 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(OCCc2ccccn2)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H16Cl2N2O4/c22-13-4-6-16(18(23)11-13)20(26)25-19-7-5-15(12-17(19)21(27)28)29-10-8-14-3-1-2-9-24-14/h1-7,9,11-12H,8,10H2,(H,25,26)(H,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121423 (CHEMBL119278 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(OCCc2cccs2)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H15Cl2NO4S/c21-12-3-5-15(17(22)10-12)19(24)23-18-6-4-13(11-16(18)20(25)26)27-8-7-14-2-1-9-28-14/h1-6,9-11H,7-8H2,(H,23,24)(H,25,26)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50121409 (CHEMBL118206 | Lithium; 2-(2,4-dichloro-benzoylami...) Show SMILES [O-]C(=O)c1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...				Bioorg Med Chem Lett 12: 3565-7 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZK5
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010904 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)C(Cc1cccnc1)c1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C Show InChI InChI=1S/C40H56N8O3/c1-5-7-20-43-39(50)31(27(3)4)23-36(49)34(22-28-14-9-8-10-15-28)45-40(51)32(21-29-16-11-18-41-24-29)37-46-47-38-33(13-6-2)44-35(26-48(37)38)30-17-12-19-42-25-30/h11-12,16-19,24-28,31-32,34,36,49H,5-10,13-15,20-23H2,1-4H3,(H,43,50)(H,45,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012938 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCCCO)-c1cccnc1 Show InChI InChI=1S/C40H56N8O4/c1-4-12-33-38-47-46-37(48(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-6-5-7-14-28)36(50)23-31(27(2)3)39(51)43-19-8-9-20-49/h10-11,15-18,24-28,31-32,34,36,49-50H,4-9,12-14,19-23H2,1-3H3,(H,43,51)(H,45,52)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012937 (CHEMBL76697 | Less polar Epimer-6-Cyclohexyl-4-hyd...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN(C)C)-c1cccnc1 Show InChI InChI=1S/C40H57N9O3/c1-6-12-33-38-47-46-37(49(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-8-7-9-14-28)36(50)23-31(27(2)3)39(51)43-19-20-48(4)5/h10-11,15-18,24-28,31-32,34,36,50H,6-9,12-14,19-23H2,1-5H3,(H,43,51)(H,45,52)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012937 (CHEMBL76697 | Less polar Epimer-6-Cyclohexyl-4-hyd...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN(C)C)-c1cccnc1 Show InChI InChI=1S/C40H57N9O3/c1-6-12-33-38-47-46-37(49(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-8-7-9-14-28)36(50)23-31(27(2)3)39(51)43-19-20-48(4)5/h10-11,15-18,24-28,31-32,34,36,50H,6-9,12-14,19-23H2,1-5H3,(H,43,51)(H,45,52)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012946 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN1CCOCC1)-c1cccnc1 Show InChI InChI=1S/C42H59N9O4/c1-4-10-35-40-49-48-39(51(40)28-37(46-35)32-14-9-16-44-27-32)34(23-31-13-8-15-43-26-31)42(54)47-36(24-30-11-6-5-7-12-30)38(52)25-33(29(2)3)41(53)45-17-18-50-19-21-55-22-20-50/h8-9,13-16,26-30,33-34,36,38,52H,4-7,10-12,17-25H2,1-3H3,(H,45,53)(H,47,54)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012944 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN1CCNCC1)-c1cccnc1 Show InChI InChI=1S/C42H60N10O3/c1-4-10-35-40-50-49-39(52(40)28-37(47-35)32-14-9-16-45-27-32)34(23-31-13-8-15-44-26-31)42(55)48-36(24-30-11-6-5-7-12-30)38(53)25-33(29(2)3)41(54)46-19-22-51-20-17-43-18-21-51/h8-9,13-16,26-30,33-34,36,38,43,53H,4-7,10-12,17-25H2,1-3H3,(H,46,54)(H,48,55)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012939 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCc1ccccn1)-c1cccnc1 Show InChI InChI=1S/C42H53N9O3/c1-4-12-35-40-50-49-39(51(40)27-37(47-35)31-16-11-19-44-25-31)34(21-30-15-10-18-43-24-30)42(54)48-36(22-29-13-6-5-7-14-29)38(52)23-33(28(2)3)41(53)46-26-32-17-8-9-20-45-32/h8-11,15-20,24-25,27-29,33-34,36,38,52H,4-7,12-14,21-23,26H2,1-3H3,(H,46,53)(H,48,54)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012943 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C Show InChI InChI=1S/C34H51N7O3/c1-5-7-17-36-34(44)26(23(3)4)19-30(42)28(18-24-13-9-8-10-14-24)38-32(43)20-31-39-40-33-27(12-6-2)37-29(22-41(31)33)25-15-11-16-35-21-25/h11,15-16,21-24,26,28,30,42H,5-10,12-14,17-20H2,1-4H3,(H,36,44)(H,38,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007355 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-methyl-1...) Show SMILES CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H26Cl2N2O/c1-13(2)17(12-22-8-4-5-9-22)21(3)18(23)11-14-6-7-15(19)16(20)10-14/h6-7,10,13,17H,4-5,8-9,11-12H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for the Opioid receptor kappa 1 affinity using guinea pig brain membranes.				J Med Chem 34: 181-9 (1991) BindingDB Entry DOI: 10.7270/Q27080CR
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for the Opioid receptor kappa 1 affinity using guinea pig brain membranes.				J Med Chem 34: 181-9 (1991) BindingDB Entry DOI: 10.7270/Q27080CR
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50419102 (CHEMBL1824369) Show SMILES Oc1cccc(NC(=O)c2ccc(OCCCN3CCCC3)cc2OCc2ccccc2C#N)c1 Show InChI InChI=1S/C28H29N3O4/c29-19-21-7-1-2-8-22(21)20-35-27-18-25(34-16-6-15-31-13-3-4-14-31)11-12-26(27)28(33)30-23-9-5-10-24(32)17-23/h1-2,5,7-12,17-18,32H,3-4,6,13-16,20H2,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17.4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged wild type c-met kinase domain (residues 1056-1371) using biotin-poly EAY as substrate in the presence of ATP aft...				Bioorg Med Chem Lett 21: 5224-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.047 BindingDB Entry DOI: 10.7270/Q2K35VX8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50008845 (2-(3,4-Dichloro-phenyl)-N-(2,2-dimethyl-1-pyrrolid...) Show SMILES CN([C@H](CN1CCCC1)C(C)(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H28Cl2N2O/c1-19(2,3)17(13-23-9-5-6-10-23)22(4)18(24)12-14-7-8-15(20)16(21)11-14/h7-8,11,17H,5-6,9-10,12-13H2,1-4H3/t17-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for the opioid receptor kappa affinity using guinea pig brain membranes.				J Med Chem 34: 181-9 (1991) BindingDB Entry DOI: 10.7270/Q27080CR
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012941 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCCNC(=O)[C@@H](CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C Show InChI InChI=1S/C34H51N7O3/c1-5-7-17-36-34(44)26(23(3)4)19-30(42)28(18-24-13-9-8-10-14-24)38-32(43)20-31-39-40-33-27(12-6-2)37-29(22-41(31)33)25-15-11-16-35-21-25/h11,15-16,21-24,26,28,30,42H,5-10,12-14,17-20H2,1-4H3,(H,36,44)(H,38,43)/t26-,28?,30?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50384248 (CHEMBL2030451) Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1)N1CCOCC1 Show InChI InChI=1S/C23H24FN5O4S/c1-34(31,32)15-20-14-21(29-10-12-33-13-11-29)28-22(25-20)16-2-6-18(7-3-16)26-23(30)27-19-8-4-17(24)5-9-19/h2-9,14H,10-13,15H2,1H3,(H2,26,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...				Bioorg Med Chem Lett 22: 4163-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.036 BindingDB Entry DOI: 10.7270/Q2N017KD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012940 (6-Cyclohexyl-4-hydroxy-5-[2-(8-isobutyl-6-phenyl-[...) Show SMILES CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CC(C)C)nc(cn12)-c1ccccc1)C(C)C Show InChI InChI=1S/C36H54N6O3/c1-6-7-18-37-36(45)28(25(4)5)21-32(43)29(20-26-14-10-8-11-15-26)39-34(44)22-33-40-41-35-30(19-24(2)3)38-31(23-42(33)35)27-16-12-9-13-17-27/h9,12-13,16-17,23-26,28-29,32,43H,6-8,10-11,14-15,18-22H2,1-5H3,(H,37,45)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50384249 (CHEMBL2030450) Show SMILES CS(=O)(=O)Cc1cc(nc(NC(=O)c2ccno2)n1)N1CCOCC1 Show InChI InChI=1S/C14H17N5O5S/c1-25(21,22)9-10-8-12(19-4-6-23-7-5-19)17-14(16-10)18-13(20)11-2-3-15-24-11/h2-3,8H,4-7,9H2,1H3,(H,16,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...				Bioorg Med Chem Lett 22: 4163-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.036 BindingDB Entry DOI: 10.7270/Q2N017KD
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50419101 (CHEMBL1824368) Show SMILES Oc1cccc(NC(=O)c2ccc(OCCCN3CCCC3)cc2OCc2ccccc2F)c1 Show InChI InChI=1S/C27H29FN2O4/c28-25-10-2-1-7-20(25)19-34-26-18-23(33-16-6-15-30-13-3-4-14-30)11-12-24(26)27(32)29-21-8-5-9-22(31)17-21/h1-2,5,7-12,17-18,31H,3-4,6,13-16,19H2,(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40.7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged wild type c-met kinase domain (residues 1056-1371) using biotin-poly EAY as substrate in the presence of ATP aft...				Bioorg Med Chem Lett 21: 5224-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.047 BindingDB Entry DOI: 10.7270/Q2K35VX8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012942 (6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...) Show SMILES CCCCN(C)C(=O)C(CC(O)C(CC1CCCCC1)NC(=O)C(Cc1cccnc1)c1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C Show InChI InChI=1S/C41H58N8O3/c1-6-8-21-48(5)41(52)32(28(3)4)24-37(50)35(23-29-15-10-9-11-16-29)45-40(51)33(22-30-17-12-19-42-25-30)38-46-47-39-34(14-7-2)44-36(27-49(38)39)31-18-13-20-43-26-31/h12-13,17-20,25-29,32-33,35,37,50H,6-11,14-16,21-24H2,1-5H3,(H,45,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2335-42 (1990) BindingDB Entry DOI: 10.7270/Q2C8288F
					More data for this Ligand-Target Pair

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