Compile Data Set for Download or QSAR

Found 452 hits with Last Name = 'nance' and Initial = 'kd'   

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
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50534550 (CHEMBL4542697) Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 Show InChI InChI=1S/C13H21N3O3S2/c1-10-12(11(2)15(3)14-10)21(17,18)16-6-4-13(5-7-16)19-8-9-20-13/h4-9H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M5 receptor				Bioorg Med Chem Lett 26: 4487-4491 (2016) Article DOI: 10.1016/j.bmcl.2016.07.071 BindingDB Entry DOI: 10.7270/Q2MG7T0M
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM50024253 (CHEMBL3334887) Show SMILES CCOC(=O)c1ccc(cc1)-c1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C24H21NO2/c1-2-27-24(26)20-14-12-19(13-15-20)22-17-25(16-18-8-4-3-5-9-18)23-11-7-6-10-21(22)23/h3-15,17H,2,16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Northwest Agriculture& Forestry University Curated by ChEMBL					Assay Description Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...				Bioorg Med Chem Lett 24: 4708-13 (2014) Article DOI: 10.1016/j.bmcl.2014.08.021 BindingDB Entry DOI: 10.7270/Q29P336C
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50033168 (CHEMBL3357106) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(I)cc1 |t:9| Show InChI InChI=1S/C17H13IO3/c1-20-14-8-4-11(5-9-14)15-10-21-17(19)16(15)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50033167 (CHEMBL3357105) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(Br)cc1 |t:9| Show InChI InChI=1S/C17H13BrO3/c1-20-14-8-4-11(5-9-14)15-10-21-17(19)16(15)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM50024254 (CHEMBL125021) Show SMILES CCOC(=O)c1ccc(cc1)-c1nn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C23H20N2O2/c1-2-27-23(26)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)25(24-22)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Northwest Agriculture& Forestry University Curated by ChEMBL					Assay Description Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...				Bioorg Med Chem Lett 24: 4708-13 (2014) Article DOI: 10.1016/j.bmcl.2014.08.021 BindingDB Entry DOI: 10.7270/Q29P336C
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM50024252 (CHEMBL1609104) Show SMILES Cn1c(CO)c(-c2ccccc2)c2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Northwest Agriculture& Forestry University Curated by ChEMBL					Assay Description Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...				Bioorg Med Chem Lett 24: 4708-13 (2014) Article DOI: 10.1016/j.bmcl.2014.08.021 BindingDB Entry DOI: 10.7270/Q29P336C
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50033277 (CHEMBL3357103) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1cccc(F)c1 |t:9| Show InChI InChI=1S/C17H13FO3/c1-20-14-7-5-11(6-8-14)15-10-21-17(19)16(15)12-3-2-4-13(18)9-12/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of COX-1 in human OVCAR3 cells by cell-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50042441 (CHEMBL3353290) Show SMILES COc1ccc(cc1C)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1 |r| Show InChI InChI=1S/C25H19F3N2O3/c1-14-11-16(7-8-21(14)33-2)25-18-6-4-3-5-17(18)24(32)30(25)10-9-29(25)23(31)15-12-19(26)22(28)20(27)13-15/h3-8,11-13H,9-10H2,1-2H3/t25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M5 receptor assessed as inhibition of acetylcholine-induced calcium response				Bioorg Med Chem Lett 26: 4487-4491 (2016) Article DOI: 10.1016/j.bmcl.2016.07.071 BindingDB Entry DOI: 10.7270/Q2MG7T0M
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM50024255 (CHEMBL3334944) Show SMILES CCCNCc1c(-c2ccccc2)c2cc(ccc2n1C)[N+]([O-])=O Show InChI InChI=1S/C19H21N3O2/c1-3-11-20-13-18-19(14-7-5-4-6-8-14)16-12-15(22(23)24)9-10-17(16)21(18)2/h4-10,12,20H,3,11,13H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	279	n/a	n/a	n/a	n/a	n/a	n/a
Northwest Agriculture& Forestry University Curated by ChEMBL					Assay Description Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...				Bioorg Med Chem Lett 24: 4708-13 (2014) Article DOI: 10.1016/j.bmcl.2014.08.021 BindingDB Entry DOI: 10.7270/Q29P336C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50445222 (CHEMBL3105228) Show SMILES Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H15ClF2N2O2/c24-16-8-6-15(7-9-16)23-18-4-2-1-3-17(18)22(30)28(23)12-11-27(23)21(29)14-5-10-19(25)20(26)13-14/h1-10,13H,11-12H2/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M5 receptor assessed as inhibition of acetylcholine-induced calcium response				Bioorg Med Chem Lett 26: 4487-4491 (2016) Article DOI: 10.1016/j.bmcl.2016.07.071 BindingDB Entry DOI: 10.7270/Q2MG7T0M
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50033170 (CHEMBL3357108) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1cccc(Cl)c1F |t:9| Show InChI InChI=1S/C17H12ClFO3/c1-21-11-7-5-10(6-8-11)13-9-22-17(20)15(13)12-3-2-4-14(18)16(12)19/h2-8H,9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM50024258 (CHEMBL3334941) Show SMILES Cn1c(COCc2ccccc2)c(-c2ccccc2)c2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C23H20N2O3/c1-24-21-13-12-19(25(26)27)14-20(21)23(18-10-6-3-7-11-18)22(24)16-28-15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	336	n/a	n/a	n/a	n/a	n/a	n/a
Northwest Agriculture& Forestry University Curated by ChEMBL					Assay Description Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...				Bioorg Med Chem Lett 24: 4708-13 (2014) Article DOI: 10.1016/j.bmcl.2014.08.021 BindingDB Entry DOI: 10.7270/Q29P336C
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50249435 (CHEMBL4070692) Show SMILES Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccncc3)c(N)c2c1C Show InChI InChI=1S/C21H19N5OS/c1-12-13(2)25-26-21-17(12)18(22)19(28-21)20(27)24-11-14-3-5-15(6-4-14)16-7-9-23-10-8-16/h3-10H,11,22H2,1-2H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Induction of CYP3A4 in cryopreserved human hepatocytes measured after 48 hrs				Bioorg Med Chem Lett 27: 2296-2301 (2017) Article DOI: 10.1016/j.bmcl.2017.04.043 BindingDB Entry DOI: 10.7270/Q23B62J8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50033277 (CHEMBL3357103) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1cccc(F)c1 |t:9| Show InChI InChI=1S/C17H13FO3/c1-20-14-7-5-11(6-8-14)15-10-21-17(19)16(15)12-3-2-4-13(18)9-12/h2-9H,10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50033166 (CHEMBL3357104) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)cc1 |t:9| Show InChI InChI=1S/C17H13FO3/c1-20-14-8-4-11(5-9-14)15-10-21-17(19)16(15)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of COX-1 in human OVCAR3 cells by cell-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50230576 (CHEMBL1341270) Show SMILES Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3| Show InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)	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	410	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 15 mins followed by NADPH addition measured after 8 min...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50033167 (CHEMBL3357105) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(Br)cc1 |t:9| Show InChI InChI=1S/C17H13BrO3/c1-20-14-8-4-11(5-9-14)15-10-21-17(19)16(15)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50230575 (CHEMBL4079193) Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 15 mins followed by NADPH addition measured after 8 min...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50033173 (CHEMBL3357111) Show SMILES Fc1cccc(c1)C1=C(COC1=O)c1ccc(cc1)C#N |t:8| Show InChI InChI=1S/C17H10FNO2/c18-14-3-1-2-13(8-14)16-15(10-21-17(16)20)12-6-4-11(9-19)5-7-12/h1-8H,10H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50033166 (CHEMBL3357104) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)cc1 |t:9| Show InChI InChI=1S/C17H13FO3/c1-20-14-8-4-11(5-9-14)15-10-21-17(19)16(15)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230575 (CHEMBL4079193) Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	603	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230575 (CHEMBL4079193) Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM50024259 (CHEMBL3334940) Show SMILES CCCOCc1c(-c2ccccc2)c2cc(ccc2n1C)[N+]([O-])=O Show InChI InChI=1S/C19H20N2O3/c1-3-11-24-13-18-19(14-7-5-4-6-8-14)16-12-15(21(22)23)9-10-17(16)20(18)2/h4-10,12H,3,11,13H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	646	n/a	n/a	n/a	n/a	n/a	n/a
Northwest Agriculture& Forestry University Curated by ChEMBL					Assay Description Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...				Bioorg Med Chem Lett 24: 4708-13 (2014) Article DOI: 10.1016/j.bmcl.2014.08.021 BindingDB Entry DOI: 10.7270/Q29P336C
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230576 (CHEMBL1341270) Show SMILES Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3| Show InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	646	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230576 (CHEMBL1341270) Show SMILES Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3| Show InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50534550 (CHEMBL4542697) Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 Show InChI InChI=1S/C13H21N3O3S2/c1-10-12(11(2)15(3)14-10)21(17,18)16-6-4-13(5-7-16)19-8-9-20-13/h4-9H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M5 receptor assessed as inhibition of acetylcholine-induced calcium response				Bioorg Med Chem Lett 26: 4487-4491 (2016) Article DOI: 10.1016/j.bmcl.2016.07.071 BindingDB Entry DOI: 10.7270/Q2MG7T0M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50534550 (CHEMBL4542697) Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 Show InChI InChI=1S/C13H21N3O3S2/c1-10-12(11(2)15(3)14-10)21(17,18)16-6-4-13(5-7-16)19-8-9-20-13/h4-9H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	661	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M5 receptor assessed as inhibition of acetylcholine-induced calcium response				Bioorg Med Chem Lett 26: 4487-4491 (2016) Article DOI: 10.1016/j.bmcl.2016.07.071 BindingDB Entry DOI: 10.7270/Q2MG7T0M
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230575 (CHEMBL4079193) Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230576 (CHEMBL1341270) Show SMILES Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3| Show InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230575 (CHEMBL4079193) Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	692	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230576 (CHEMBL1341270) Show SMILES Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3| Show InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	692	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50033281 (CHEMBL3357099) Show SMILES Cc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)cc1 |t:8| Show InChI InChI=1S/C17H13FO2/c1-11-2-4-12(5-3-11)15-10-20-17(19)16(15)13-6-8-14(18)9-7-13/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of COX-1 in human OVCAR3 cells by cell-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM50024260 (CHEMBL3334939) Show SMILES COCc1c(-c2ccccc2)c2cc(ccc2n1C)[N+]([O-])=O Show InChI InChI=1S/C17H16N2O3/c1-18-15-9-8-13(19(20)21)10-14(15)17(16(18)11-22-2)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	785	n/a	n/a	n/a	n/a	n/a	n/a
Northwest Agriculture& Forestry University Curated by ChEMBL					Assay Description Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...				Bioorg Med Chem Lett 24: 4708-13 (2014) Article DOI: 10.1016/j.bmcl.2014.08.021 BindingDB Entry DOI: 10.7270/Q29P336C
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50249405 (CHEMBL4102040) Show SMILES Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccc(F)nc3)c(N)c2c1C Show InChI InChI=1S/C21H18FN5OS/c1-11-12(2)26-27-21-17(11)18(23)19(29-21)20(28)25-9-13-3-5-14(6-4-13)15-7-8-16(22)24-10-15/h3-8,10H,9,23H2,1-2H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 27: 2296-2301 (2017) Article DOI: 10.1016/j.bmcl.2017.04.043 BindingDB Entry DOI: 10.7270/Q23B62J8
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM50024257 (CHEMBL3334942) Show SMILES CNCc1c(-c2ccccc2)c2cc(ccc2n1C)[N+]([O-])=O Show InChI InChI=1S/C17H17N3O2/c1-18-11-16-17(12-6-4-3-5-7-12)14-10-13(20(21)22)8-9-15(14)19(16)2/h3-10,18H,11H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	793	n/a	n/a	n/a	n/a	n/a	n/a
Northwest Agriculture& Forestry University Curated by ChEMBL					Assay Description Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...				Bioorg Med Chem Lett 24: 4708-13 (2014) Article DOI: 10.1016/j.bmcl.2014.08.021 BindingDB Entry DOI: 10.7270/Q29P336C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50534551 (CHEMBL4448840) Show SMILES Fc1cc(F)cc(c1)-c1nnc(Cc2nc(no2)-c2ccc3OCOc3c2)o1 Show InChI InChI=1S/C18H10F2N4O4/c19-11-3-10(4-12(20)6-11)18-23-22-16(27-18)7-15-21-17(24-28-15)9-1-2-13-14(5-9)26-8-25-13/h1-6H,7-8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M2 receptor assessed as inhibition of acetylcholine-induced calcium response				Bioorg Med Chem Lett 26: 4487-4491 (2016) Article DOI: 10.1016/j.bmcl.2016.07.071 BindingDB Entry DOI: 10.7270/Q2MG7T0M
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50033281 (CHEMBL3357099) Show SMILES Cc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)cc1 |t:8| Show InChI InChI=1S/C17H13FO2/c1-11-2-4-12(5-3-11)15-10-20-17(19)16(15)13-6-8-14(18)9-7-13/h2-9H,10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50033283 (CHEMBL3357097) Show SMILES Cc1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1F |t:8| Show InChI InChI=1S/C17H13FO2/c1-11-6-8-12(9-7-11)14-10-20-17(19)16(14)13-4-2-3-5-15(13)18/h2-9H,10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50033178 (CHEMBL3357116) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(cc1)C(F)(F)F |t:9| Show InChI InChI=1S/C18H13F3O3/c1-23-14-8-4-11(5-9-14)15-10-24-17(22)16(15)12-2-6-13(7-3-12)18(19,20)21/h2-9H,10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50445222 (CHEMBL3105228) Show SMILES Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H15ClF2N2O2/c24-16-8-6-15(7-9-16)23-18-4-2-1-3-17(18)22(30)28(23)12-11-27(23)21(29)14-5-10-19(25)20(26)13-14/h1-10,13H,11-12H2/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Negative allosteric modulation of human M5 receptor expressed in CHO cells assessed as inhibition of acetyl choline-induced calcium mobilization prei...				Bioorg Med Chem Lett 27: 1356-1359 (2017) Article DOI: 10.1016/j.bmcl.2017.02.020 BindingDB Entry DOI: 10.7270/Q241709W
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50445222 (CHEMBL3105228) Show SMILES Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H15ClF2N2O2/c24-16-8-6-15(7-9-16)23-18-4-2-1-3-17(18)22(30)28(23)12-11-27(23)21(29)14-5-10-19(25)20(26)13-14/h1-10,13H,11-12H2/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Negative allosteric modulation of human M5 receptor expressed in CHO cells assessed as inhibition of acetyl choline-induced calcium mobilization prei...				Bioorg Med Chem Lett 27: 1356-1359 (2017) Article DOI: 10.1016/j.bmcl.2017.02.020 BindingDB Entry DOI: 10.7270/Q241709W
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50233360 (CHEMBL4062497) Show SMILES Cc1cc(ccc1Cl)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C24H17ClF2N2O2/c1-14-12-16(7-8-19(14)25)24-18-5-3-2-4-17(18)23(31)29(24)11-10-28(24)22(30)15-6-9-20(26)21(27)13-15/h2-9,12-13H,10-11H2,1H3/t24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Negative allosteric modulation of human M5 receptor expressed in CHO cells assessed as inhibition of acetyl choline-induced calcium mobilization prei...				Bioorg Med Chem Lett 27: 1356-1359 (2017) Article DOI: 10.1016/j.bmcl.2017.02.020 BindingDB Entry DOI: 10.7270/Q241709W
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50233360 (CHEMBL4062497) Show SMILES Cc1cc(ccc1Cl)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C24H17ClF2N2O2/c1-14-12-16(7-8-19(14)25)24-18-5-3-2-4-17(18)23(31)29(24)11-10-28(24)22(30)15-6-9-20(26)21(27)13-15/h2-9,12-13H,10-11H2,1H3/t24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Negative allosteric modulation of human M5 receptor expressed in CHO cells assessed as inhibition of acetyl choline-induced calcium mobilization prei...				Bioorg Med Chem Lett 27: 1356-1359 (2017) Article DOI: 10.1016/j.bmcl.2017.02.020 BindingDB Entry DOI: 10.7270/Q241709W
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50233372 (CHEMBL4100518) Show SMILES CN(C1CCC1)c1ccc(cc1)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C28H25F2N3O2/c1-31(20-5-4-6-20)21-12-10-19(11-13-21)28-23-8-3-2-7-22(23)27(35)33(28)16-15-32(28)26(34)18-9-14-24(29)25(30)17-18/h2-3,7-14,17,20H,4-6,15-16H2,1H3/t28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Negative allosteric modulation of human M5 receptor expressed in CHO cells assessed as inhibition of acetyl choline-induced calcium mobilization prei...				Bioorg Med Chem Lett 27: 1356-1359 (2017) Article DOI: 10.1016/j.bmcl.2017.02.020 BindingDB Entry DOI: 10.7270/Q241709W
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230573 (CHEMBL4068337) Show SMILES FC(F)(F)C1(N=C(Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1cccs1)C(F)(F)F |c:5| Show InChI InChI=1S/C19H12F6N4O2S/c20-18(21,22)17(19(23,24)25)12-14(26-13(28-17)11-7-4-8-32-11)29(16(31)27-15(12)30)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,26,28)(H,27,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230573 (CHEMBL4068337) Show SMILES FC(F)(F)C1(N=C(Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1cccs1)C(F)(F)F |c:5| Show InChI InChI=1S/C19H12F6N4O2S/c20-18(21,22)17(19(23,24)25)12-14(26-13(28-17)11-7-4-8-32-11)29(16(31)27-15(12)30)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,26,28)(H,27,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50249435 (CHEMBL4070692) Show SMILES Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccncc3)c(N)c2c1C Show InChI InChI=1S/C21H19N5OS/c1-12-13(2)25-26-21-17(12)18(22)19(28-21)20(27)24-11-14-3-5-15(6-4-14)16-7-9-23-10-8-16/h3-10H,11,22H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 27: 2296-2301 (2017) Article DOI: 10.1016/j.bmcl.2017.04.043 BindingDB Entry DOI: 10.7270/Q23B62J8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50233372 (CHEMBL4100518) Show SMILES CN(C1CCC1)c1ccc(cc1)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C28H25F2N3O2/c1-31(20-5-4-6-20)21-12-10-19(11-13-21)28-23-8-3-2-7-22(23)27(35)33(28)16-15-32(28)26(34)18-9-14-24(29)25(30)17-18/h2-3,7-14,17,20H,4-6,15-16H2,1H3/t28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Negative allosteric modulation of human M5 receptor expressed in CHO cells assessed as inhibition of acetyl choline-induced calcium mobilization prei...				Bioorg Med Chem Lett 27: 1356-1359 (2017) Article DOI: 10.1016/j.bmcl.2017.02.020 BindingDB Entry DOI: 10.7270/Q241709W
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50233363 (CHEMBL4065335) Show SMILES Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(cc1)N1CCCC(F)(F)C1 |r| Show InChI InChI=1S/C28H23F4N3O2/c29-23-11-6-18(16-24(23)30)25(36)34-14-15-35-26(37)21-4-1-2-5-22(21)28(34,35)19-7-9-20(10-8-19)33-13-3-12-27(31,32)17-33/h1-2,4-11,16H,3,12-15,17H2/t28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Negative allosteric modulation of human M5 receptor expressed in CHO cells assessed as inhibition of acetyl choline-induced calcium mobilization prei...				Bioorg Med Chem Lett 27: 1356-1359 (2017) Article DOI: 10.1016/j.bmcl.2017.02.020 BindingDB Entry DOI: 10.7270/Q241709W
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 452 total )  |  Next  |  Last  >>

Jump to: