BDBM136131 US8853203, 143::US8853203, 96-1::US9650377, Example 96-1

SMILES: COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1

InChI Key: InChIKey=MBZUZSSPUFLUTF-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 136131   

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))	BDBM136131 (US8853203, 143 | US8853203, 96-1 | US9650377, Exam...) Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9| Show InChI InChI=1S/C21H22N4O2/c1-27-12-15-11-24(13-23-15)20-9-19-18-4-2-3-16(14-5-6-14)17(18)7-8-25(19)21(26)10-22-20/h2-4,9,11,13-14H,5-8,10,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...				US Patent US8853203 (2014) BindingDB Entry DOI: 10.7270/Q2MP520T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136131 (US8853203, 143 | US8853203, 96-1 | US9650377, Exam...) Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9| Show InChI InChI=1S/C21H22N4O2/c1-27-12-15-11-24(13-23-15)20-9-19-18-4-2-3-16(14-5-6-14)17(18)7-8-25(19)21(26)10-22-20/h2-4,9,11,13-14H,5-8,10,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...				US Patent US8853203 (2014) BindingDB Entry DOI: 10.7270/Q2MP520T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM136131 (US8853203, 143 | US8853203, 96-1 | US9650377, Exam...) Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9| Show InChI InChI=1S/C21H22N4O2/c1-27-12-15-11-24(13-23-15)20-9-19-18-4-2-3-16(14-5-6-14)17(18)7-8-25(19)21(26)10-22-20/h2-4,9,11,13-14H,5-8,10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...				US Patent US9650377 (2017) BindingDB Entry DOI: 10.7270/Q2G73GT2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM136131 (US8853203, 143 | US8853203, 96-1 | US9650377, Exam...) Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9| Show InChI InChI=1S/C21H22N4O2/c1-27-12-15-11-24(13-23-15)20-9-19-18-4-2-3-16(14-5-6-14)17(18)7-8-25(19)21(26)10-22-20/h2-4,9,11,13-14H,5-8,10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...				US Patent US8853203 (2014) BindingDB Entry DOI: 10.7270/Q2MP520T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136131 (US8853203, 143 | US8853203, 96-1 | US9650377, Exam...) Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9| Show InChI InChI=1S/C21H22N4O2/c1-27-12-15-11-24(13-23-15)20-9-19-18-4-2-3-16(14-5-6-14)17(18)7-8-25(19)21(26)10-22-20/h2-4,9,11,13-14H,5-8,10,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...				US Patent US9650377 (2017) BindingDB Entry DOI: 10.7270/Q2G73GT2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM136131 (US8853203, 143 | US8853203, 96-1 | US9650377, Exam...) Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9| Show InChI InChI=1S/C21H22N4O2/c1-27-12-15-11-24(13-23-15)20-9-19-18-4-2-3-16(14-5-6-14)17(18)7-8-25(19)21(26)10-22-20/h2-4,9,11,13-14H,5-8,10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...				US Patent US8853203 (2014) BindingDB Entry DOI: 10.7270/Q2MP520T
					More data for this Ligand-Target Pair