Compile Data Set for Download or QSAR

Found 859 hits with Last Name = 'bollinger' and Initial = 'ka'   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50577263 (CHEMBL4850236) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sigma1 receptor by radioligand binding assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50577261 (CHEMBL4849905) Show SMILES C(CC1CCN(Cc2ccccc2)CC1)Nc1cc2CCCCc3ccccc3-c2nn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NMS from human acetyl cholinesterase receptor expressed in CHO cell membranes incubated for 3 hrs by radiometric scintillation co...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50283472 (CHEMBL4160748) Show SMILES COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1F |(9.45,-43.77,;10.47,-42.62,;9.99,-41.15,;8.48,-40.84,;7.99,-39.38,;9.02,-38.23,;8.54,-36.77,;9.43,-35.53,;10.97,-35.52,;8.53,-34.29,;7.07,-34.77,;5.74,-34,;4.41,-34.77,;4.41,-36.31,;3.08,-37.09,;5.74,-37.08,;7.08,-36.3,;5.74,-32.46,;7.08,-31.68,;4.41,-31.68,;5.73,-30.92,;10.52,-38.54,;11.55,-37.39,;11.01,-40,;12.52,-40.31,)| Show InChI InChI=1S/C16H12F5N3O/c1-7-6-11(16(19,20)21)24-15(22-7)12(8(2)23-24)9-4-5-10(25-3)14(18)13(9)17/h4-6H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	650	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] substance P from recombinant human NK1 receptor expressed in CHO cells after 90 mins by scintillation counting method				ACS Med Chem Lett 8: 1110-1115 (2017) Article DOI: 10.1021/acsmedchemlett.7b00317 BindingDB Entry DOI: 10.7270/Q2B85BN1
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577264 (CHEMBL4873386) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1Cl |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.427	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577264 (CHEMBL4873386) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1Cl |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577262 (CHEMBL4853244) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc2nn(C)cc2c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NMS from human muscarinic receptor M4 expressed in CHO cell membranes incubated for 3 hrs by radiometric scintillation counting a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577264 (CHEMBL4873386) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1Cl |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.589	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577264 (CHEMBL4873386) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1Cl |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from recombinant human DAT expressed in CHOK1 cells after 3 hrs by scintillation counting method				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577267 (CHEMBL4855467) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(NC(C)=O)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577267 (CHEMBL4855467) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(NC(C)=O)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577268 (CHEMBL4851711) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccccc1F |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577271 (CHEMBL4864914) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1F |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50577268 (CHEMBL4851711) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccccc1F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577271 (CHEMBL4864914) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1F |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577269 (CHEMBL4854289) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccc(F)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577269 (CHEMBL4854289) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccc(F)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577265 (CHEMBL4876599) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577265 (CHEMBL4876599) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577263 (CHEMBL4850236) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577263 (CHEMBL4850236) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577263 (CHEMBL4850236) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577263 (CHEMBL4850236) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577266 (CHEMBL4848896) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccnc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577266 (CHEMBL4848896) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccnc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577272 (CHEMBL4865665) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc2C(=O)N(C)Cc2c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577270 (CHEMBL4860985) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(F)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577270 (CHEMBL4860985) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(F)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50577272 (CHEMBL4865665) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc2C(=O)N(C)Cc2c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50005548 ((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...) Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human DAT expressed in CHOK1 cells assessed as reduction in [3H]dopamine uptake pretreated for 20 mins followed...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50262571 (CHEMBL4066902) Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1 Show InChI InChI=1S/C18H11F2N5O2/c19-11-1-2-16(23-8-11)24-18(26)15-6-14(10-25-4-3-22-17(15)25)27-13-5-12(20)7-21-9-13/h1-10H,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50262571 (CHEMBL4066902) Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1 Show InChI InChI=1S/C18H11F2N5O2/c19-11-1-2-16(23-8-11)24-18(26)15-6-14(10-25-4-3-22-17(15)25)27-13-5-12(20)7-21-9-13/h1-10H,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50262573 (CHEMBL4089114) Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)nc1 Show InChI InChI=1S/C17H10F2N6O2/c18-10-1-2-15(21-6-10)24-17(26)14-4-13(8-25-16(14)22-9-23-25)27-12-3-11(19)5-20-7-12/h1-9H,(H,21,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50262573 (CHEMBL4089114) Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)nc1 Show InChI InChI=1S/C17H10F2N6O2/c18-10-1-2-15(21-6-10)24-17(26)14-4-13(8-25-16(14)22-9-23-25)27-12-3-11(19)5-20-7-12/h1-9H,(H,21,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50503552 (CHEMBL4446070) Show SMILES Cc1cc(O[C@@H]2CCOC2)cc(n1)C(=O)Nc1ccccn1 |r| Show InChI InChI=1S/C16H17N3O3/c1-11-8-13(22-12-5-7-21-10-12)9-14(18-11)16(20)19-15-4-2-3-6-17-15/h2-4,6,8-9,12H,5,7,10H2,1H3,(H,17,19,20)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGlu5 receptor assessed as inhibition of glutamate induced-calcium mobilization				Bioorg Med Chem Lett 29: 47-50 (2019) Article DOI: 10.1016/j.bmcl.2018.11.017 BindingDB Entry DOI: 10.7270/Q2MW2MF6
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50262608 (CHEMBL4071447) Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3cnnc23)nc1 Show InChI InChI=1S/C17H10F2N6O2/c18-10-1-2-15(21-6-10)23-17(26)14-4-13(8-25-9-22-24-16(14)25)27-12-3-11(19)5-20-7-12/h1-9H,(H,21,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50262608 (CHEMBL4071447) Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3cnnc23)nc1 Show InChI InChI=1S/C17H10F2N6O2/c18-10-1-2-15(21-6-10)23-17(26)14-4-13(8-25-9-22-24-16(14)25)27-12-3-11(19)5-20-7-12/h1-9H,(H,21,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50503571 (CHEMBL4563956) Show SMILES Cc1csc(NC(=O)c2cc(O[C@@H]3CCOC3)cc(C)n2)n1 |r| Show InChI InChI=1S/C15H17N3O3S/c1-9-5-12(21-11-3-4-20-7-11)6-13(16-9)14(19)18-15-17-10(2)8-22-15/h5-6,8,11H,3-4,7H2,1-2H3,(H,17,18,19)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGlu5 receptor assessed as inhibition of glutamate induced-calcium mobilization				Bioorg Med Chem Lett 29: 47-50 (2019) Article DOI: 10.1016/j.bmcl.2018.11.017 BindingDB Entry DOI: 10.7270/Q2MW2MF6
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Rattus norvegicus)	BDBM430158 (4-(2-fluoro-4-methoxyphenyl)-5-((2-methylpyridin-4...) Show SMILES COc1ccc(c(F)c1)-c1cc(ncc1OCc1ccnc(C)c1)C(N)=O Show InChI InChI=1S/C20H18FN3O3/c1-12-7-13(5-6-23-12)11-27-19-10-24-18(20(22)25)9-16(19)15-4-3-14(26-2)8-17(15)21/h3-10H,11H2,1-2H3,(H2,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description Gα15 HEK293 cells stably expressing rat mGlu2 were plated in black-walled, clear-bottomed, poly-D-lysine coated 384-well plates in 20 μL of assay m...				US Patent US10538491 (2020) BindingDB Entry DOI: 10.7270/Q2GT5QKF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50503566 (CHEMBL4458831) Show SMILES Cc1csc(NC(=O)c2cc(OC3CSC3)cc(C)n2)n1 Show InChI InChI=1S/C14H15N3O2S2/c1-8-3-10(19-11-6-20-7-11)4-12(15-8)13(18)17-14-16-9(2)5-21-14/h3-5,11H,6-7H2,1-2H3,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGlu5 receptor assessed as inhibition of glutamate induced-calcium mobilization				Bioorg Med Chem Lett 29: 47-50 (2019) Article DOI: 10.1016/j.bmcl.2018.11.017 BindingDB Entry DOI: 10.7270/Q2MW2MF6
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50503577 (CHEMBL4540550) Show SMILES Cc1cc(O[C@@H]2CCOC2)cc(n1)C(=O)Nc1ccc(F)cn1 |r| Show InChI InChI=1S/C16H16FN3O3/c1-10-6-13(23-12-4-5-22-9-12)7-14(19-10)16(21)20-15-3-2-11(17)8-18-15/h2-3,6-8,12H,4-5,9H2,1H3,(H,18,20,21)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGlu5 receptor assessed as inhibition of glutamate induced-calcium mobilization				Bioorg Med Chem Lett 29: 47-50 (2019) Article DOI: 10.1016/j.bmcl.2018.11.017 BindingDB Entry DOI: 10.7270/Q2MW2MF6
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50262633 (CHEMBL4077770) Show SMILES Fc1cncc(Oc2cc(C(=O)Nc3cccc(F)n3)c3nccn3c2)c1 Show InChI InChI=1S/C18H11F2N5O2/c19-11-6-12(9-21-8-11)27-13-7-14(17-22-4-5-25(17)10-13)18(26)24-16-3-1-2-15(20)23-16/h1-10H,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50262633 (CHEMBL4077770) Show SMILES Fc1cncc(Oc2cc(C(=O)Nc3cccc(F)n3)c3nccn3c2)c1 Show InChI InChI=1S/C18H11F2N5O2/c19-11-6-12(9-21-8-11)27-13-7-14(17-22-4-5-25(17)10-13)18(26)24-16-3-1-2-15(20)23-16/h1-10H,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Rattus norvegicus)	BDBM430113 (4-(2-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethox...) Show SMILES COc1ccc(c(F)c1)-c1cc(ncc1OCc1cccnc1)C(N)=O Show InChI InChI=1S/C19H16FN3O3/c1-25-13-4-5-14(16(20)7-13)15-8-17(19(21)24)23-10-18(15)26-11-12-3-2-6-22-9-12/h2-10H,11H2,1H3,(H2,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description Gα15 HEK293 cells stably expressing rat mGlu2 were plated in black-walled, clear-bottomed, poly-D-lysine coated 384-well plates in 20 μL of assay m...				US Patent US10538491 (2020) BindingDB Entry DOI: 10.7270/Q2GT5QKF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50262623 (CHEMBL4092008) Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3F)cn3ncnc23)nc1 Show InChI InChI=1S/C17H9F3N6O2/c18-9-1-2-14(22-4-9)25-17(27)11-3-10(7-26-16(11)23-8-24-26)28-13-6-21-5-12(19)15(13)20/h1-8H,(H,22,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50262623 (CHEMBL4092008) Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3F)cn3ncnc23)nc1 Show InChI InChI=1S/C17H9F3N6O2/c18-9-1-2-14(22-4-9)25-17(27)11-3-10(7-26-16(11)23-8-24-26)28-13-6-21-5-12(19)15(13)20/h1-8H,(H,22,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50503553 (CHEMBL4569680) Show SMILES Cc1cc(OC2CCC2)cc(n1)C(=O)Nc1ccccn1 Show InChI InChI=1S/C16H17N3O2/c1-11-9-13(21-12-5-4-6-12)10-14(18-11)16(20)19-15-7-2-3-8-17-15/h2-3,7-10,12H,4-6H2,1H3,(H,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGlu5 receptor assessed as inhibition of glutamate induced-calcium mobilization				Bioorg Med Chem Lett 29: 47-50 (2019) Article DOI: 10.1016/j.bmcl.2018.11.017 BindingDB Entry DOI: 10.7270/Q2MW2MF6
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50262576 (CHEMBL4089606) Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(c3)C#N)cn3ncnc23)nc1 Show InChI InChI=1S/C18H10FN7O2/c19-12-1-2-16(22-7-12)25-18(27)15-4-14(9-26-17(15)23-10-24-26)28-13-3-11(5-20)6-21-8-13/h1-4,6-10H,(H,22,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50262576 (CHEMBL4089606) Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(c3)C#N)cn3ncnc23)nc1 Show InChI InChI=1S/C18H10FN7O2/c19-12-1-2-16(22-7-12)25-18(27)15-4-14(9-26-17(15)23-10-24-26)28-13-3-11(5-20)6-21-8-13/h1-4,6-10H,(H,22,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50503538 (CHEMBL4569447) Show SMILES Cc1csc(NC(=O)c2cc(OC3COC3)cc(C)n2)n1 Show InChI InChI=1S/C14H15N3O3S/c1-8-3-10(20-11-5-19-6-11)4-12(15-8)13(18)17-14-16-9(2)7-21-14/h3-4,7,11H,5-6H2,1-2H3,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGlu5 receptor assessed as inhibition of glutamate induced-calcium mobilization				Bioorg Med Chem Lett 29: 47-50 (2019) Article DOI: 10.1016/j.bmcl.2018.11.017 BindingDB Entry DOI: 10.7270/Q2MW2MF6
					More data for this Ligand-Target Pair

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