Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50032959   

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))	BDBM50336921 (3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-...) Show SMILES CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from human recombinant mGlu5 receptor				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50336921 (3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-...) Show SMILES CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from mGlu5 receptor in rat brain tissue				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50336921 (3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-...) Show SMILES CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50336923 ((R)-(5-chloro-6-(4-chlorophenylamino)pyridin-3-yl)...) Show SMILES CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 |r| Show InChI InChI=1S/C19H21Cl2N3O/c1-2-16-5-3-4-10-24(16)19(25)13-11-17(21)18(22-12-13)23-15-8-6-14(20)7-9-15/h6-9,11-12,16H,2-5,10H2,1H3,(H,22,23)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50336924 (3-chloro-N-(6-methylpyridin-3-yl)-5-(1-propyl-1H-b...) Show SMILES CCCn1c(nc2ccccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C21H20ClN5/c1-3-10-27-19-7-5-4-6-18(19)26-21(27)15-11-17(22)20(24-12-15)25-16-9-8-14(2)23-13-16/h4-9,11-13H,3,10H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50336926 (3-chloro-5-(1-isobutyl-1H-benzo[d]imidazol-2-yl)-N...) Show SMILES CC(C)Cn1c(nc2ccccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C22H22ClN5/c1-14(2)13-28-20-7-5-4-6-19(20)27-22(28)16-10-18(23)21(25-11-16)26-17-9-8-15(3)24-12-17/h4-12,14H,13H2,1-3H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50336925 (3-chloro-5-(1-ethyl-1H-benzo[d]imidazol-2-yl)-N-(6...) Show SMILES CCn1c(nc2ccccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C20H18ClN5/c1-3-26-18-7-5-4-6-17(18)25-20(26)14-10-16(21)19(23-11-14)24-15-9-8-13(2)22-12-15/h4-12H,3H2,1-2H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50336927 (3-chloro-5-(6-chloro-1-propyl-1H-benzo[d]imidazol-...) Show SMILES CCCn1c(nc2ccc(Cl)cc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C21H19Cl2N5/c1-3-8-28-19-10-15(22)5-7-18(19)27-21(28)14-9-17(23)20(25-11-14)26-16-6-4-13(2)24-12-16/h4-7,9-12H,3,8H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50336928 (3-chloro-N-(4-chlorophenyl)-5-(1-propyl-1H-benzo[d...) Show SMILES CCCn1c(nc2ccccc12)-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C21H18Cl2N4/c1-2-11-27-19-6-4-3-5-18(19)26-21(27)14-12-17(23)20(24-13-14)25-16-9-7-15(22)8-10-16/h3-10,12-13H,2,11H2,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50336915 (3-chloro-5-(4-chloro-1-propyl-1H-benzo[d]imidazol-...) Show SMILES CCCn1c(nc2c(Cl)cccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-18-6-4-5-16(22)19(18)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50336916 (3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propyl-1...) Show SMILES CCCn1cc(C)nc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C18H18Cl2N4/c1-3-8-24-11-12(2)22-18(24)13-9-16(20)17(21-10-13)23-15-6-4-14(19)5-7-15/h4-7,9-11H,3,8H2,1-2H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50336917 (3-chloro-N-(4-chlorophenyl)-5-(4,5-dimethyl-1-prop...) Show SMILES CCCn1c(C)c(C)nc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N4/c1-4-9-25-13(3)12(2)23-19(25)14-10-17(21)18(22-11-14)24-16-7-5-15(20)6-8-16/h5-8,10-11H,4,9H2,1-3H3,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50336918 (5-(1-butyl-1H-benzo[d]imidazol-2-yl)-3-chloro-N-(6...) Show SMILES CCCCn1c(nc2ccccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C22H22ClN5/c1-3-4-11-28-20-8-6-5-7-19(20)27-22(28)16-12-18(23)21(25-13-16)26-17-10-9-15(2)24-14-17/h5-10,12-14H,3-4,11H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50336922 (3-chloro-5-(5-chloro-1-propyl-1H-benzo[d]imidazol-...) Show SMILES CCCn1c(nc2cc(Cl)ccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C21H19Cl2N5/c1-3-8-28-19-7-5-15(22)10-18(19)27-21(28)14-9-17(23)20(25-11-14)26-16-6-4-13(2)24-12-16/h4-7,9-12H,3,8H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50336919 (3-chloro-N-(4-chlorophenyl)-5-(5,6,7,8-tetrahydroi...) Show SMILES Clc1ccc(Nc2ncc(cc2Cl)-c2ncc3CCCCn23)cc1 Show InChI InChI=1S/C18H16Cl2N4/c19-13-4-6-14(7-5-13)23-17-16(20)9-12(10-21-17)18-22-11-15-3-1-2-8-24(15)18/h4-7,9-11H,1-3,8H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50336920 (3-chloro-N-(4-chlorophenyl)-5-(1,4-dimethyl-1H-imi...) Show SMILES Cc1cn(C)c(n1)-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C16H14Cl2N4/c1-10-9-22(2)16(20-10)11-7-14(18)15(19-8-11)21-13-5-3-12(17)4-6-13/h3-9H,1-2H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 7 (Homo sapiens (Human))	BDBM50336921 (3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-...) Show SMILES CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at mGlu7 receptor				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50336921 (3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-...) Show SMILES CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at mGlu1 receptor				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50336921 (3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-...) Show SMILES CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at mGlu2 receptor				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair