Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 10821   

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 5 (Homo sapiens (Human))	BDBM571410 (US11440922, Example 27 | ethyl (4E)-4-[3-(3- cyano...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cccc(c2)C#N)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571399 (US11440922, Example 19 | ethyl (4E)-4-[3-(2,5- dif...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cc(F)ccc2F)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571414 ((3-chlorophenyl){(4E)-4- [3-(3-chlorophenyl)prop-2...) Show SMILES CC1(C)CN(CC\C1=C/C#Cc1cccc(Cl)c1)C(=O)c1cccc(Cl)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571398 (US11440922, Example 18 | ethyl (4E)-4-[3-(4- chlor...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cc(Cl)ccn2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571415 (US11440922, Example 40 | methyl (4E)-4-[3-(3- chlo...) Show SMILES COC(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571397 (US11440922, Example 3 | ethyl (4E)-3,3-dimethyl-4-...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cccc(C)n2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571425 (3-{(3E)-3-[1-(3- chlorobenzoyl)-3,3- dimethylpiper...) Show SMILES CC1(C)CN(CC\C1=C/C#Cc1cccc(c1)C#N)C(=O)c1cccc(Cl)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571428 (US11440922, Example 128 | {(4E)-4-[3-(3- chlorophe...) Show SMILES Cc1cccc(n1)C(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571408 (US11440922, Example 22 | ethyl (4E)-3,3-dimethyl-4...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cccc(c2)C(F)(F)F)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571433 ((3-chlorophenyl){(4E)-4- [3-(3-chlorophenyl)prop-2...) Show SMILES FC1(F)CN(CC\C1=C/C#Cc1cccc(Cl)c1)C(=O)c1cccc(Cl)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571411 (US11440922, Example 28 | ethyl (4E)-4-{3-[3- (cyan...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cccc(CC#N)c2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571429 (US11440922, Example 166 | {(4E)-4-[3-(3- chlorophe...) Show SMILES COc1cc(OC)nc(n1)C(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571430 (US11440922, Example 167 | {(4E)-4-[3-(3- chlorophe...) Show SMILES CCn1nc(C)c(n1)C(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571418 (US11440922, Example 48 | ethyl (3E)-2,2-dimethyl-3...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cccc(C)n2)C1(C)C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571412 (US11440922, Example 31 | ethyl (4E)-4-[3-(4- cyano...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cc(ccn2)C#N)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571427 ((3-chlorophenyl){(4E)-4- [3-(4-fluorophenyl)prop-2...) Show SMILES CC1(C)CN(CC\C1=C/C#Cc1ccc(F)cc1)C(=O)c1cccc(Cl)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571431 ((3-chlorophenyl){(4E)-4- [3-(3-hydroxyphenyl)prop-...) Show SMILES CC1(C)CN(CC\C1=C/C#Cc1cccc(O)c1)C(=O)c1cccc(Cl)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571416 (US11440922, Example 43 | {(4E)-4-[3-(3- chlorophen...) Show SMILES Cc1cccc(c1)C(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571426 ((3-chlorophenyl){(4E)-4- {3-[3- (hydroxymethyl)phe...) Show SMILES CC1(C)CN(CC\C1=C/C#Cc1cccc(CO)c1)C(=O)c1cccc(Cl)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571422 (US11440922, Example 101 | ethyl (3E)-3-[3-(3- chlo...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C1(C)C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571413 (US11440922, Example 32 | ethyl (4E)-4-[3-(3-cyano-...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cc(F)cc(c2)C#N)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571421 (US11440922, Example 91 | ethyl (3E)-3-[3-(4- chlor...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cc(Cl)ccn2)C1(C)C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571424 (2-methyl-6-[3-(2,2,6,6- tetramethylpiperidin-4- yl...) Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]C([#6])([#6])[#7]C([#6])([#6])[#6]-1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571409 (US11440922, Example 25 | ethyl (4E)-4-[3-(4- metho...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cc(OC)ccn2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	28.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571420 (US11440922, Example 73 | ethyl (3E)-3-[3-(4- cyano...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cc(ccn2)C#N)C1(C)C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571419 (US11440922, Example 64 | methyl (3E)-2,2-dimethyl-...) Show SMILES COC(=O)N1CC\C(=C/C#Cc2nccc(C)n2)C1(C)C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	82.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571417 ((2,5-dimethylfuran-3- yl)[(4E)-4-{3-[3- (hydroxyme...) Show SMILES Cc1cc(C(=O)N2CC\C(=C/C#Cc3cccc(CO)c3)C(C)(C)C2)c(C)o1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	323	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571432 (3-[(3E)-3-{1-[(2,5- dimethylfuran-3- yl)carbonyl]-...) Show SMILES Cc1cc(C(=O)N2CC\C(=C/C#Cc3cc(F)cc(c3)C#N)C(C)(C)C2)c(C)o1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	637	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571423 ((3-chlorophenyl)[(4E)-4- {[5-(3-chlorophenyl)-1H- ...) Show SMILES CC1(C)CN(CC\C1=C/c1cc([nH]n1)-c1cccc(Cl)c1)C(=O)c1cccc(Cl)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	932	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571418 (US11440922, Example 48 | ethyl (3E)-2,2-dimethyl-3...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cccc(C)n2)C1(C)C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.02	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cells were seeded into black-walled, clear-bottom, 96-well plates at a density of 80000 cell/well, in RPMI (without Phenol Red, without L-glutamine; ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571410 (US11440922, Example 27 | ethyl (4E)-4-[3-(3- cyano...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cccc(c2)C#N)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cells were seeded into black-walled, clear-bottom, 96-well plates at a density of 80000 cell/well, in RPMI (without Phenol Red, without L-glutamine; ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571412 (US11440922, Example 31 | ethyl (4E)-4-[3-(4- cyano...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cc(ccn2)C#N)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cells were seeded into black-walled, clear-bottom, 96-well plates at a density of 80000 cell/well, in RPMI (without Phenol Red, without L-glutamine; ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571415 (US11440922, Example 40 | methyl (4E)-4-[3-(3- chlo...) Show SMILES COC(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cells were seeded into black-walled, clear-bottom, 96-well plates at a density of 80000 cell/well, in RPMI (without Phenol Red, without L-glutamine; ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571421 (US11440922, Example 91 | ethyl (3E)-3-[3-(4- chlor...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cc(Cl)ccn2)C1(C)C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cells were seeded into black-walled, clear-bottom, 96-well plates at a density of 80000 cell/well, in RPMI (without Phenol Red, without L-glutamine; ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571409 (US11440922, Example 25 | ethyl (4E)-4-[3-(4- metho...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cc(OC)ccn2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31.8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cells were seeded into black-walled, clear-bottom, 96-well plates at a density of 80000 cell/well, in RPMI (without Phenol Red, without L-glutamine; ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571411 (US11440922, Example 28 | ethyl (4E)-4-{3-[3- (cyan...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cccc(CC#N)c2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cells were seeded into black-walled, clear-bottom, 96-well plates at a density of 80000 cell/well, in RPMI (without Phenol Red, without L-glutamine; ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571413 (US11440922, Example 32 | ethyl (4E)-4-[3-(3-cyano-...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cc(F)cc(c2)C#N)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cells were seeded into black-walled, clear-bottom, 96-well plates at a density of 80000 cell/well, in RPMI (without Phenol Red, without L-glutamine; ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571422 (US11440922, Example 101 | ethyl (3E)-3-[3-(3- chlo...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C1(C)C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	66.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cells were seeded into black-walled, clear-bottom, 96-well plates at a density of 80000 cell/well, in RPMI (without Phenol Red, without L-glutamine; ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571408 (US11440922, Example 22 | ethyl (4E)-3,3-dimethyl-4...) Show SMILES CCOC(=O)N1CC\C(=C/C#Cc2cccc(c2)C(F)(F)F)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	66.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cells were seeded into black-walled, clear-bottom, 96-well plates at a density of 80000 cell/well, in RPMI (without Phenol Red, without L-glutamine; ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571430 (US11440922, Example 167 | {(4E)-4-[3-(3- chlorophe...) Show SMILES CCn1nc(C)c(n1)C(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
TBA					Assay Description The PAM potency was evaluated by performing an agonist concentration response curve in the presence of the compounds. The compounds at fixed concentr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571431 ((3-chlorophenyl){(4E)-4- [3-(3-hydroxyphenyl)prop-...) Show SMILES CC1(C)CN(CC\C1=C/C#Cc1cccc(O)c1)C(=O)c1cccc(Cl)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	224	n/a	n/a	n/a	n/a
TBA					Assay Description The PAM potency was evaluated by performing an agonist concentration response curve in the presence of the compounds. The compounds at fixed concentr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571436 (3-{(3E)-3-[1-(3- methoxybenzoyl)-3,3- dimethylpipe...) Show SMILES COc1cccc(c1)C(=O)N1CC\C(=C/C#Cc2cccc(c2)C#N)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	87.7	n/a	n/a	n/a	n/a
TBA					Assay Description The PAM potency was evaluated by performing an agonist concentration response curve in the presence of the compounds. The compounds at fixed concentr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571432 (3-[(3E)-3-{1-[(2,5- dimethylfuran-3- yl)carbonyl]-...) Show SMILES Cc1cc(C(=O)N2CC\C(=C/C#Cc3cc(F)cc(c3)C#N)C(C)(C)C2)c(C)o1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	291	n/a	n/a	n/a	n/a
TBA					Assay Description The PAM potency was evaluated by performing an agonist concentration response curve in the presence of the compounds. The compounds at fixed concentr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571429 (US11440922, Example 166 | {(4E)-4-[3-(3- chlorophe...) Show SMILES COc1cc(OC)nc(n1)C(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	51.7	n/a	n/a	n/a	n/a
TBA					Assay Description The PAM potency was evaluated by performing an agonist concentration response curve in the presence of the compounds. The compounds at fixed concentr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571435 (US11440922, Example 137 | {(4E)-4-[3-(3- chlorophe...) Show SMILES COc1cccc(c1)C(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	268	n/a	n/a	n/a	n/a
TBA					Assay Description The PAM potency was evaluated by performing an agonist concentration response curve in the presence of the compounds. The compounds at fixed concentr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571428 (US11440922, Example 128 | {(4E)-4-[3-(3- chlorophe...) Show SMILES Cc1cccc(n1)C(=O)N1CC\C(=C/C#Cc2cccc(Cl)c2)C(C)(C)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	165	n/a	n/a	n/a	n/a
TBA					Assay Description The PAM potency was evaluated by performing an agonist concentration response curve in the presence of the compounds. The compounds at fixed concentr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571434 (US11440922, Example 126 | {(4E)-4-[3-(3- chlorophe...) Show SMILES CC1(C)CN(CC\C1=C/C#Cc1cccc(Cl)c1)C(=O)c1cccc(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	115	n/a	n/a	n/a	n/a
TBA					Assay Description The PAM potency was evaluated by performing an agonist concentration response curve in the presence of the compounds. The compounds at fixed concentr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571427 ((3-chlorophenyl){(4E)-4- [3-(4-fluorophenyl)prop-2...) Show SMILES CC1(C)CN(CC\C1=C/C#Cc1ccc(F)cc1)C(=O)c1cccc(Cl)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	38.6	n/a	n/a	n/a	n/a
TBA					Assay Description The PAM potency was evaluated by performing an agonist concentration response curve in the presence of the compounds. The compounds at fixed concentr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571426 ((3-chlorophenyl){(4E)-4- {3-[3- (hydroxymethyl)phe...) Show SMILES CC1(C)CN(CC\C1=C/C#Cc1cccc(CO)c1)C(=O)c1cccc(Cl)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	49.7	n/a	n/a	n/a	n/a
TBA					Assay Description The PAM potency was evaluated by performing an agonist concentration response curve in the presence of the compounds. The compounds at fixed concentr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM571425 (3-{(3E)-3-[1-(3- chlorobenzoyl)-3,3- dimethylpiper...) Show SMILES CC1(C)CN(CC\C1=C/C#Cc1cccc(c1)C#N)C(=O)c1cccc(Cl)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	52.8	n/a	n/a	n/a	n/a
TBA					Assay Description The PAM potency was evaluated by performing an agonist concentration response curve in the presence of the compounds. The compounds at fixed concentr...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9NGP
					More data for this Ligand-Target Pair

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