BDBM136031 US8853203, 86::US9650377, Example 86

SMILES: CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)cc3)C2=C1

InChI Key: InChIKey=FGROCZOSPDQYJD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 136031   

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))	BDBM136031 (US8853203, 86 | US9650377, Example 86) Show SMILES CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)cc3)C2=C1 |c:32,t:8| Show InChI InChI=1S/C24H21FN4O/c1-2-18-14-28(15-27-18)23-12-22-21-5-3-4-19(16-6-8-17(25)9-7-16)20(21)10-11-29(22)24(30)13-26-23/h3-9,12,14-15H,2,10-11,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	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))	BDBM136031 (US8853203, 86 | US9650377, Example 86) Show SMILES CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)cc3)C2=C1 |c:32,t:8| Show InChI InChI=1S/C24H21FN4O/c1-2-18-14-28(15-27-18)23-12-22-21-5-3-4-19(16-6-8-17(25)9-7-16)20(21)10-11-29(22)24(30)13-26-23/h3-9,12,14-15H,2,10-11,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.90E+3	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 5 (Homo sapiens (Human))	BDBM136031 (US8853203, 86 | US9650377, Example 86) Show SMILES CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)cc3)C2=C1 |c:32,t:8| Show InChI InChI=1S/C24H21FN4O/c1-2-18-14-28(15-27-18)23-12-22-21-5-3-4-19(16-6-8-17(25)9-7-16)20(21)10-11-29(22)24(30)13-26-23/h3-9,12,14-15H,2,10-11,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	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))	BDBM136031 (US8853203, 86 | US9650377, Example 86) Show SMILES CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)cc3)C2=C1 |c:32,t:8| Show InChI InChI=1S/C24H21FN4O/c1-2-18-14-28(15-27-18)23-12-22-21-5-3-4-19(16-6-8-17(25)9-7-16)20(21)10-11-29(22)24(30)13-26-23/h3-9,12,14-15H,2,10-11,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.90E+3	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