Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 5140   

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
Glutamate receptor (RABBIT)	BDBM50252103 ((2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-MET...) Show SMILES C[C@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by PDSP Ki Database									Neuropharmacology 36: 1483-8 (1997) Article DOI: 10.1016/s0028-3908(97)00161-5 BindingDB Entry DOI: 10.7270/Q2C827T6
					More data for this Ligand-Target Pair
Glutamate receptor (RABBIT)	BDBM50002369 ((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...) Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by PDSP Ki Database									Neuropharmacology 36: 1483-8 (1997) Article DOI: 10.1016/s0028-3908(97)00161-5 BindingDB Entry DOI: 10.7270/Q2C827T6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor (RABBIT)	BDBM17660 ((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...) Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	16.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by PDSP Ki Database									Neuropharmacology 36: 1483-8 (1997) Article DOI: 10.1016/s0028-3908(97)00161-5 BindingDB Entry DOI: 10.7270/Q2C827T6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor (RABBIT)	BDBM50013055 (2-aminopentanedioateglutamate | L-Glutamate | glut...) Show SMILES NC(CCC([O-])=O)C([O-])=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	31.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by PDSP Ki Database									Neuropharmacology 36: 1483-8 (1997) Article DOI: 10.1016/s0028-3908(97)00161-5 BindingDB Entry DOI: 10.7270/Q2C827T6
					More data for this Ligand-Target Pair
Glutamate receptor (RABBIT)	BDBM50289504 (7-Cyano-3-hydroxy-6-nitro-quinoxalin-2-ol anion | ...) Show SMILES [O-][N+](=O)c1cc2[n-]c(=[OH+])c(=O)[n-]c2cc1C#N Show InChI InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H2,11,12,14,15)/p-1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by PDSP Ki Database									Neuropharmacology 36: 1483-8 (1997) Article DOI: 10.1016/s0028-3908(97)00161-5 BindingDB Entry DOI: 10.7270/Q2C827T6
					More data for this Ligand-Target Pair
Glutamate receptor (RABBIT)	BDBM50060635 ((S)-2-Amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-p...) Show SMILES N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by PDSP Ki Database									Neuropharmacology 36: 1483-8 (1997) Article DOI: 10.1016/s0028-3908(97)00161-5 BindingDB Entry DOI: 10.7270/Q2C827T6
					More data for this Ligand-Target Pair
Glutamate receptor (RABBIT)	BDBM50002343 (2-Methylamino-succinic acid | CHEMBL275325 | NMDA) Show SMILES CNC(CC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by PDSP Ki Database									Neuropharmacology 36: 1483-8 (1997) Article DOI: 10.1016/s0028-3908(97)00161-5 BindingDB Entry DOI: 10.7270/Q2C827T6
					More data for this Ligand-Target Pair