Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 335.4 BDBM50160480

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

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
Metabotropic glutamate receptor 1 (RAT)	BDBM50160480 (CHEMBL3785977) Show SMILES [H][C@@]12CC[C@](C)([C@H](C1)Nc1nc(C)nc3c1nn1ccccc31)C2(C)C |r,TLB:8:6:2.3:23| Show InChI InChI=1S/C20H25N5/c1-12-21-16-14-7-5-6-10-25(14)24-17(16)18(22-12)23-15-11-13-8-9-20(15,4)19(13,2)3/h5-7,10,13,15H,8-9,11H2,1-4H3,(H,21,22,23)/t13-,15+,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+3	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 rat mGluR1 expressed in HEK293 cells assessed as inhibition of glutamate induced calcium mobilization by calcium mo...				Bioorg Med Chem Lett 26: 1894-900 (2016) Article DOI: 10.1016/j.bmcl.2016.03.026 BindingDB Entry DOI: 10.7270/Q2HT2R7J
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50160480 (CHEMBL3785977) Show SMILES [H][C@@]12CC[C@](C)([C@H](C1)Nc1nc(C)nc3c1nn1ccccc31)C2(C)C |r,TLB:8:6:2.3:23| Show InChI InChI=1S/C20H25N5/c1-12-21-16-14-7-5-6-10-25(14)24-17(16)18(22-12)23-15-11-13-8-9-20(15,4)19(13,2)3/h5-7,10,13,15H,8-9,11H2,1-4H3,(H,21,22,23)/t13-,15+,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	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 rat mGluR1 expressed in HEK293 cells assessed as inhibition of glutamate induced calcium mobilization by calcium mo...				Bioorg Med Chem Lett 26: 1894-900 (2016) Article DOI: 10.1016/j.bmcl.2016.03.026 BindingDB Entry DOI: 10.7270/Q2HT2R7J
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50160480 (CHEMBL3785977) Show SMILES [H][C@@]12CC[C@](C)([C@H](C1)Nc1nc(C)nc3c1nn1ccccc31)C2(C)C |r,TLB:8:6:2.3:23| Show InChI InChI=1S/C20H25N5/c1-12-21-16-14-7-5-6-10-25(14)24-17(16)18(22-12)23-15-11-13-8-9-20(15,4)19(13,2)3/h5-7,10,13,15H,8-9,11H2,1-4H3,(H,21,22,23)/t13-,15+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Negative allosteric modulation of rat mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate induced calcium mobilization by calcium mo...				Bioorg Med Chem Lett 26: 1894-900 (2016) Article DOI: 10.1016/j.bmcl.2016.03.026 BindingDB Entry DOI: 10.7270/Q2HT2R7J
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50160480 (CHEMBL3785977) Show SMILES [H][C@@]12CC[C@](C)([C@H](C1)Nc1nc(C)nc3c1nn1ccccc31)C2(C)C |r,TLB:8:6:2.3:23| Show InChI InChI=1S/C20H25N5/c1-12-21-16-14-7-5-6-10-25(14)24-17(16)18(22-12)23-15-11-13-8-9-20(15,4)19(13,2)3/h5-7,10,13,15H,8-9,11H2,1-4H3,(H,21,22,23)/t13-,15+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<3.16E+4	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 rat mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate induced calcium mobilization by calcium mo...				Bioorg Med Chem Lett 26: 1894-900 (2016) Article DOI: 10.1016/j.bmcl.2016.03.026 BindingDB Entry DOI: 10.7270/Q2HT2R7J
					More data for this Ligand-Target Pair