BDBM174246 US9688669, Example 77::US9688669, Example 78

SMILES: CC1(C)CC1C(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1

InChI Key: InChIKey=WVZVUGQBGXFDPH-NTFDOXNWSA-N

Data: 2 EC50

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 = 174246   

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 (mGluR5) (Homo sapiens (Human))	BDBM174246 (US9688669, Example 77 | US9688669, Example 78) Show SMILES CC1(C)CC1C(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r| Show InChI InChI=1S/C22H21FN2O3/c1-22(2)10-17(22)18(26)7-6-13-8-15(12-24-11-13)19-20(28-21(27)25-19)14-4-3-5-16(23)9-14/h3-5,8-9,11-12,17-20,26H,10H2,1-2H3,(H,25,27)/t17?,18?,19-,20-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.61E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...				US Patent US9688669 (2017) BindingDB Entry DOI: 10.7270/Q25T3HN9
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5) (Homo sapiens (Human))	BDBM174246 (US9688669, Example 77 | US9688669, Example 78) Show SMILES CC1(C)CC1C(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r| Show InChI InChI=1S/C22H21FN2O3/c1-22(2)10-17(22)18(26)7-6-13-8-15(12-24-11-13)19-20(28-21(27)25-19)14-4-3-5-16(23)9-14/h3-5,8-9,11-12,17-20,26H,10H2,1-2H3,(H,25,27)/t17?,18?,19-,20-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.61E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...				US Patent US9688669 (2017) BindingDB Entry DOI: 10.7270/Q25T3HN9
					More data for this Ligand-Target Pair