BDBM50339075 Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-methanone::CHEMBL1688377

SMILES: O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=CXTMBWBHTXAOFX-UHFFFAOYSA-N

Data: 2 KI  9 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50339075   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50339075 (Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-met...) Show SMILES O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17| Show InChI InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]3-methoxy-5-(2-pyridinylethynyl) pyridine from mGluR5 allosteric site				Bioorg Med Chem Lett 19: 3209-13 (2009) Article DOI: 10.1016/j.bmcl.2009.04.110 BindingDB Entry DOI: 10.7270/Q29S1RCR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50339075 (Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-met...) Show SMILES O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17| Show InChI InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Negative allosteric modulation at rat mGluR5 receptor				ACS Med Chem Lett 1: 433-438 (2010) Article DOI: 10.1021/ml100181a BindingDB Entry DOI: 10.7270/Q2DJ5FX7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50339075 (Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-met...) Show SMILES O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17| Show InChI InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of mGluR5				Bioorg Med Chem Lett 19: 3209-13 (2009) Article DOI: 10.1016/j.bmcl.2009.04.110 BindingDB Entry DOI: 10.7270/Q29S1RCR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50339075 (Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-met...) Show SMILES O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17| Show InChI InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	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 mGluR1 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization				Bioorg Med Chem Lett 23: 3713-8 (2013) Article DOI: 10.1016/j.bmcl.2013.05.020 BindingDB Entry DOI: 10.7270/Q2Z60QGB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM50339075 (Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-met...) Show SMILES O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17| Show InChI InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of mGluR3				Bioorg Med Chem Lett 19: 3209-13 (2009) Article DOI: 10.1016/j.bmcl.2009.04.110 BindingDB Entry DOI: 10.7270/Q29S1RCR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4) (Homo sapiens (Human))	BDBM50339075 (Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-met...) Show SMILES O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17| Show InChI InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of mGluR4				Bioorg Med Chem Lett 19: 3209-13 (2009) Article DOI: 10.1016/j.bmcl.2009.04.110 BindingDB Entry DOI: 10.7270/Q29S1RCR
					More data for this Ligand-Target Pair
GRM7 (Homo sapiens (Human))	BDBM50339075 (Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-met...) Show SMILES O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17| Show InChI InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of mGluR7				Bioorg Med Chem Lett 19: 3209-13 (2009) Article DOI: 10.1016/j.bmcl.2009.04.110 BindingDB Entry DOI: 10.7270/Q29S1RCR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50339075 (Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-met...) Show SMILES O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17| Show InChI InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	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 mGluR1 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization				Bioorg Med Chem Lett 23: 3713-8 (2013) Article DOI: 10.1016/j.bmcl.2013.05.020 BindingDB Entry DOI: 10.7270/Q2Z60QGB
					More data for this Ligand-Target Pair
GRM8 (Homo sapiens (Human))	BDBM50339075 (Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-met...) Show SMILES O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17| Show InChI InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of mGluR8				Bioorg Med Chem Lett 19: 3209-13 (2009) Article DOI: 10.1016/j.bmcl.2009.04.110 BindingDB Entry DOI: 10.7270/Q29S1RCR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50339075 (Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-met...) Show SMILES O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17| Show InChI InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Negative allosteric modulation at rat mGluR5 receptor				ACS Med Chem Lett 1: 433-438 (2010) Article DOI: 10.1021/ml100181a BindingDB Entry DOI: 10.7270/Q2DJ5FX7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50339075 (Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-met...) Show SMILES O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17| Show InChI InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of mGluR2				Bioorg Med Chem Lett 19: 3209-13 (2009) Article DOI: 10.1016/j.bmcl.2009.04.110 BindingDB Entry DOI: 10.7270/Q29S1RCR
					More data for this Ligand-Target Pair