BDBM308212 US9650377, Example 109

SMILES: O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cnco1)n1cnc(c1)C1CC1

InChI Key: InChIKey=FOSWZCOEJXWPQC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 308212   

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 1 (Homo sapiens (Human))	BDBM308212 (US9650377, Example 109) Show SMILES O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cnco1)n1cnc(c1)C1CC1 |c:3,5| Show InChI InChI=1S/C22H19N5O2/c28-22-10-24-21(26-11-18(25-12-26)14-4-5-14)8-19-16-2-1-3-17(20-9-23-13-29-20)15(16)6-7-27(19)22/h1-3,8-9,11-14H,4-7,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80E+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))	BDBM308212 (US9650377, Example 109) Show SMILES O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cnco1)n1cnc(c1)C1CC1 |c:3,5| Show InChI InChI=1S/C22H19N5O2/c28-22-10-24-21(26-11-18(25-12-26)14-4-5-14)8-19-16-2-1-3-17(20-9-23-13-29-20)15(16)6-7-27(19)22/h1-3,8-9,11-14H,4-7,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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