Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'angelico' and Initial = 'p'   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM85833 (N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]- ethyl]-N...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1 Show InChI InChI=1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 1027-37 (2001) BindingDB Entry DOI: 10.7270/Q2F47MP3
					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
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM85833 (N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]- ethyl]-N...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1 Show InChI InChI=1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 1027-37 (2001) BindingDB Entry DOI: 10.7270/Q2F47MP3
					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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM85833 (N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]- ethyl]-N...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1 Show InChI InChI=1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 1027-37 (2001) BindingDB Entry DOI: 10.7270/Q2F47MP3
					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
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM85833 (N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]- ethyl]-N...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1 Show InChI InChI=1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by PDSP Ki Database									J Pharmacol Exp Ther 299: 1027-37 (2001) BindingDB Entry DOI: 10.7270/Q2F47MP3
					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))	BDBM300236 (US9593127, Example 10 | tert-butyl 3-[2-(m- tolyl)...) Show SMILES Cc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)OC(C)(C)C |t:10| Show InChI InChI=1S/C19H22N2O3/c1-13-6-5-7-14(12-13)8-9-16-15-10-11-21(17(15)24-20-16)18(22)23-19(2,3)4/h5-7,12,15,17H,10-11H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.65	n/a	n/a	n/a	n/a	n/a	n/a
RECORDATI IRELAND LTD. US Patent					Assay Description Affinity at transmembrane glutamate metabotropic mGluR5 receptor subtypes was evaluated according to the methods of Anderson (Anderson et al., J Phar...				US Patent US9593127 (2017) BindingDB Entry DOI: 10.7270/Q2ZP486Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM300227 (US9593127, Example 1 | tert-butyl 3-[2-(3- chlorop...) Show SMILES CC(C)(C)OC(=O)N1CCC2C1ON=C2C#Cc1cccc(Cl)c1 |c:14| Show InChI InChI=1S/C18H19ClN2O3/c1-18(2,3)23-17(22)21-10-9-14-15(20-24-16(14)21)8-7-12-5-4-6-13(19)11-12/h4-6,11,14,16H,9-10H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.87	n/a	n/a	n/a	n/a	n/a	n/a
RECORDATI IRELAND LTD. US Patent					Assay Description Affinity at transmembrane glutamate metabotropic mGluR5 receptor subtypes was evaluated according to the methods of Anderson (Anderson et al., J Phar...				US Patent US9593127 (2017) BindingDB Entry DOI: 10.7270/Q2ZP486Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM300230 (3-[2-(3-chlorophenyl)ethynyl]- N-ethyl-N-isopropyl...) Show SMILES CCN(C(C)C)C(=O)N1CCC2C1ON=C2C#Cc1cccc(Cl)c1 |c:15| Show InChI InChI=1S/C19H22ClN3O2/c1-4-22(13(2)3)19(24)23-11-10-16-17(21-25-18(16)23)9-8-14-6-5-7-15(20)12-14/h5-7,12-13,16,18H,4,10-11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.99	n/a	n/a	n/a	n/a	n/a	n/a
RECORDATI IRELAND LTD. US Patent					Assay Description Affinity at transmembrane glutamate metabotropic mGluR5 receptor subtypes was evaluated according to the methods of Anderson (Anderson et al., J Phar...				US Patent US9593127 (2017) BindingDB Entry DOI: 10.7270/Q2ZP486Q
					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))	BDBM300238 (US9593127, Example 12 | [3-[2-(m-tolyl)ethynyl]- 3...) Show SMILES Cc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCCCC1 |t:10| Show InChI InChI=1S/C20H23N3O2/c1-15-6-5-7-16(14-15)8-9-18-17-10-13-23(19(17)25-21-18)20(24)22-11-3-2-4-12-22/h5-7,14,17,19H,2-4,10-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a	n/a
RECORDATI IRELAND LTD. US Patent					Assay Description Affinity at transmembrane glutamate metabotropic mGluR5 receptor subtypes was evaluated according to the methods of Anderson (Anderson et al., J Phar...				US Patent US9593127 (2017) BindingDB Entry DOI: 10.7270/Q2ZP486Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM300234 (US9593127, Example 8 | [3-[2-(3-chlorophenyl)ethyn...) Show SMILES Clc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCCCC1 |t:10| Show InChI InChI=1S/C19H20ClN3O2/c20-15-6-4-5-14(13-15)7-8-17-16-9-12-23(18(16)25-21-17)19(24)22-10-2-1-3-11-22/h4-6,13,16,18H,1-3,9-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
RECORDATI IRELAND LTD. US Patent					Assay Description Affinity at transmembrane glutamate metabotropic mGluR5 receptor subtypes was evaluated according to the methods of Anderson (Anderson et al., J Phar...				US Patent US9593127 (2017) BindingDB Entry DOI: 10.7270/Q2ZP486Q
					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))	BDBM300240 (N,N-diethyl-3-[2-(m- tolyl)ethynyl]-3a,4,5,6a- tet...) Show SMILES CCN(CC)C(=O)N1CCC2C1ON=C2C#Cc1cccc(C)c1 |c:14| Show InChI InChI=1S/C19H23N3O2/c1-4-21(5-2)19(23)22-12-11-16-17(20-24-18(16)22)10-9-15-8-6-7-14(3)13-15/h6-8,13,16,18H,4-5,11-12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.8	n/a	n/a	n/a	n/a	n/a	n/a
RECORDATI IRELAND LTD. US Patent					Assay Description Affinity at transmembrane glutamate metabotropic mGluR5 receptor subtypes was evaluated according to the methods of Anderson (Anderson et al., J Phar...				US Patent US9593127 (2017) BindingDB Entry DOI: 10.7270/Q2ZP486Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM300235 (US9593127, Example 9 | [3-[2-(3-chlorophenyl)ethyn...) Show SMILES Clc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCCC1 |t:10| Show InChI InChI=1S/C18H18ClN3O2/c19-14-5-3-4-13(12-14)6-7-16-15-8-11-22(17(15)24-20-16)18(23)21-9-1-2-10-21/h3-5,12,15,17H,1-2,8-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
RECORDATI IRELAND LTD. US Patent					Assay Description Affinity at transmembrane glutamate metabotropic mGluR5 receptor subtypes was evaluated according to the methods of Anderson (Anderson et al., J Phar...				US Patent US9593127 (2017) BindingDB Entry DOI: 10.7270/Q2ZP486Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM300237 (US9593127, Example 11 | [3-[2-(m-tolyl)ethynyl]- 3...) Show SMILES Cc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCCC1 |t:10| Show InChI InChI=1S/C19H21N3O2/c1-14-5-4-6-15(13-14)7-8-17-16-9-12-22(18(16)24-20-17)19(23)21-10-2-3-11-21/h4-6,13,16,18H,2-3,9-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
RECORDATI IRELAND LTD. US Patent					Assay Description Affinity at transmembrane glutamate metabotropic mGluR5 receptor subtypes was evaluated according to the methods of Anderson (Anderson et al., J Phar...				US Patent US9593127 (2017) BindingDB Entry DOI: 10.7270/Q2ZP486Q
					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))	BDBM300241 (N-methoxy-N-methyl-3-[2-(m- tolyl)ethynyl]-3a,4,5,...) Show SMILES CON(C)C(=O)N1CCC2C1ON=C2C#Cc1cccc(C)c1 |c:13| Show InChI InChI=1S/C17H19N3O3/c1-12-5-4-6-13(11-12)7-8-15-14-9-10-20(16(14)23-18-15)17(21)19(2)22-3/h4-6,11,14,16H,9-10H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
RECORDATI IRELAND LTD. US Patent					Assay Description Affinity at transmembrane glutamate metabotropic mGluR5 receptor subtypes was evaluated according to the methods of Anderson (Anderson et al., J Phar...				US Patent US9593127 (2017) BindingDB Entry DOI: 10.7270/Q2ZP486Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM300232 (US9593127, Example 6 | [3-[2-(3-chlorophenyl)ethyn...) Show SMILES Clc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCOCC1 |t:10| Show InChI InChI=1S/C18H18ClN3O3/c19-14-3-1-2-13(12-14)4-5-16-15-6-7-22(17(15)25-20-16)18(23)21-8-10-24-11-9-21/h1-3,12,15,17H,6-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.8	n/a	n/a	n/a	n/a	n/a	n/a
RECORDATI IRELAND LTD. US Patent					Assay Description Affinity at transmembrane glutamate metabotropic mGluR5 receptor subtypes was evaluated according to the methods of Anderson (Anderson et al., J Phar...				US Patent US9593127 (2017) BindingDB Entry DOI: 10.7270/Q2ZP486Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM300228 (US9593127, Example 2 | [3-[2-(3-chlorophenyl)ethyn...) Show SMILES Clc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)c1ccco1 |t:10| Show InChI InChI=1S/C18H13ClN2O3/c19-13-4-1-3-12(11-13)6-7-15-14-8-9-21(18(14)24-20-15)17(22)16-5-2-10-23-16/h1-5,10-11,14,18H,8-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.6	n/a	n/a	n/a	n/a	n/a	n/a
RECORDATI IRELAND LTD. US Patent					Assay Description Affinity at transmembrane glutamate metabotropic mGluR5 receptor subtypes was evaluated according to the methods of Anderson (Anderson et al., J Phar...				US Patent US9593127 (2017) BindingDB Entry DOI: 10.7270/Q2ZP486Q
					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

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