Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 10 entry = 50015104   

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 3 (Rattus norvegicus (Rat))	BDBM50151453 ((1R,2R,3R,5R,6R)-2-Amino-3-(3,4-difluoro-benzyloxy...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(F)c(F)c1)[C@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C15H14F3NO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards metabotropic glutamate receptor 3 of rat expressed in CHO cells was determined by using [3H]-MGS0008				J Med Chem 47: 4570-87 (2004) Article DOI: 10.1021/jm0400294 BindingDB Entry DOI: 10.7270/Q2GH9HFK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50062522 ((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...) Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.04	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards metabotropic glutamate receptor 3 of rat expressed in CHO cells was determined by using [3H]-MGS0008				J Med Chem 47: 4570-87 (2004) Article DOI: 10.1021/jm0400294 BindingDB Entry DOI: 10.7270/Q2GH9HFK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50151438 ((1R,2R,3R,5R,6R)-2-Amino-3-benzhydryloxy-6-fluoro-...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OC(c1ccccc1)c1ccccc1)[C@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C21H20FNO5/c22-20(18(24)25)14-11-15(21(23,17(14)20)19(26)27)28-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-17H,11,23H2,(H,24,25)(H,26,27)/t14-,15-,17+,20-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards metabotropic glutamate receptor 3 of rat expressed in CHO cells was determined by using [3H]-MGS0008				J Med Chem 47: 4570-87 (2004) Article DOI: 10.1021/jm0400294 BindingDB Entry DOI: 10.7270/Q2GH9HFK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50151435 ((1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichloro-benzyloxy...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards metabotropic glutamate receptor 3 of rat expressed in CHO cells was determined by using [3H]-MGS0008				J Med Chem 47: 4570-87 (2004) Article DOI: 10.1021/jm0400294 BindingDB Entry DOI: 10.7270/Q2GH9HFK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50151447 ((1R,2R,3R,5R,6R)-2-Amino-3-(4-chloro-benzyloxy)-6-...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)cc1)[C@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C15H15ClFNO5/c16-8-3-1-7(2-4-8)6-23-10-5-9-11(14(9,17)12(19)20)15(10,18)13(21)22/h1-4,9-11H,5-6,18H2,(H,19,20)(H,21,22)/t9-,10-,11+,14-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards metabotropic glutamate receptor 3 of rat expressed in CHO cells was determined by using [3H]-MGS0008				J Med Chem 47: 4570-87 (2004) Article DOI: 10.1021/jm0400294 BindingDB Entry DOI: 10.7270/Q2GH9HFK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50151473 ((1R,2R,3R,5R,6R)-2-Amino-6-fluoro-3-(naphthalen-2-...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc3ccccc3c1)[C@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C19H18FNO5/c20-18(16(22)23)13-8-14(19(21,15(13)18)17(24)25)26-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-15H,8-9,21H2,(H,22,23)(H,24,25)/t13-,14-,15+,18-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards metabotropic glutamate receptor 3 of rat expressed in CHO cells was determined by using [3H]-MGS0008				J Med Chem 47: 4570-87 (2004) Article DOI: 10.1021/jm0400294 BindingDB Entry DOI: 10.7270/Q2GH9HFK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50151446 ((1R,2R,3R,5R,6R)-2-Amino-3-benzyloxy-6-fluoro-bicy...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccccc1)[C@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C15H16FNO5/c16-14(12(18)19)9-6-10(15(17,11(9)14)13(20)21)22-7-8-4-2-1-3-5-8/h1-5,9-11H,6-7,17H2,(H,18,19)(H,20,21)/t9-,10-,11+,14-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards metabotropic glutamate receptor 3 of rat expressed in CHO cells was determined by using [3H]-MGS0008				J Med Chem 47: 4570-87 (2004) Article DOI: 10.1021/jm0400294 BindingDB Entry DOI: 10.7270/Q2GH9HFK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50151444 ((1R,2R,3R,5R,6R)-2-Amino-6-fluoro-3-hydroxy-bicycl...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1O)[C@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C8H10FNO5/c9-7(5(12)13)2-1-3(11)8(10,4(2)7)6(14)15/h2-4,11H,1,10H2,(H,12,13)(H,14,15)/t2-,3-,4+,7-,8+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	67.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards metabotropic glutamate receptor 3 of rat expressed in CHO cells was determined by using [3H]-MGS0008				J Med Chem 47: 4570-87 (2004) Article DOI: 10.1021/jm0400294 BindingDB Entry DOI: 10.7270/Q2GH9HFK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50151456 ((1R,2R,3R,5R,6R)-2-Amino-6-fluoro-3-methoxy-bicycl...) Show SMILES CO[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O Show InChI InChI=1S/C9H12FNO5/c1-16-4-2-3-5(8(3,10)6(12)13)9(4,11)7(14)15/h3-5H,2,11H2,1H3,(H,12,13)(H,14,15)/t3-,4-,5+,8-,9+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards metabotropic glutamate receptor 3 of rat expressed in CHO cells was determined by using [3H]-MGS0008				J Med Chem 47: 4570-87 (2004) Article DOI: 10.1021/jm0400294 BindingDB Entry DOI: 10.7270/Q2GH9HFK
					More data for this Ligand-Target Pair