Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent glycine transporter 1' and Ligand = 'BDBM50439754'   

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
Sodium- and chloride-dependent glycine transporter 1 (attus norvegicus (Rat))	BDBM50439754 (CHEMBL2419440) Show SMILES CCc1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1cccc(C#N)c1C |(17.73,-47.68,;16.46,-48.55,;15.07,-47.89,;14.59,-46.43,;13.05,-46.43,;12.58,-47.9,;11.25,-48.66,;9.92,-47.87,;8.58,-48.63,;8.57,-50.17,;9.91,-50.95,;11.24,-50.19,;7.24,-50.94,;5.91,-50.15,;4.57,-50.92,;4.56,-52.46,;5.9,-53.23,;7.23,-52.47,;13.83,-48.8,;13.83,-50.34,;12.5,-51.11,;12.5,-52.65,;13.84,-53.42,;15.17,-52.65,;16.51,-53.42,;17.84,-54.17,;15.17,-51.1,;16.5,-50.33,)| Show InChI InChI=1S/C23H19N5/c1-3-22-26-27-23(28(22)21-11-7-10-18(14-24)16(21)2)19-12-13-20(25-15-19)17-8-5-4-6-9-17/h4-13,15H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...				J Med Chem 56: 5744-56 (2014) Article DOI: 10.1021/jm400383w BindingDB Entry DOI: 10.7270/Q2D79CVX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50439754 (CHEMBL2419440) Show SMILES CCc1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1cccc(C#N)c1C |(17.73,-47.68,;16.46,-48.55,;15.07,-47.89,;14.59,-46.43,;13.05,-46.43,;12.58,-47.9,;11.25,-48.66,;9.92,-47.87,;8.58,-48.63,;8.57,-50.17,;9.91,-50.95,;11.24,-50.19,;7.24,-50.94,;5.91,-50.15,;4.57,-50.92,;4.56,-52.46,;5.9,-53.23,;7.23,-52.47,;13.83,-48.8,;13.83,-50.34,;12.5,-51.11,;12.5,-52.65,;13.84,-53.42,;15.17,-52.65,;16.51,-53.42,;17.84,-54.17,;15.17,-51.1,;16.5,-50.33,)| Show InChI InChI=1S/C23H19N5/c1-3-22-26-27-23(28(22)21-11-7-10-18(14-24)16(21)2)19-12-13-20(25-15-19)17-8-5-4-6-9-17/h4-13,15H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of GlyT1 in human SK-N-MC cells				J Med Chem 56: 5744-56 (2014) Article DOI: 10.1021/jm400383w BindingDB Entry DOI: 10.7270/Q2D79CVX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (attus norvegicus (Rat))	BDBM50439754 (CHEMBL2419440) Show SMILES CCc1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1cccc(C#N)c1C |(17.73,-47.68,;16.46,-48.55,;15.07,-47.89,;14.59,-46.43,;13.05,-46.43,;12.58,-47.9,;11.25,-48.66,;9.92,-47.87,;8.58,-48.63,;8.57,-50.17,;9.91,-50.95,;11.24,-50.19,;7.24,-50.94,;5.91,-50.15,;4.57,-50.92,;4.56,-52.46,;5.9,-53.23,;7.23,-52.47,;13.83,-48.8,;13.83,-50.34,;12.5,-51.11,;12.5,-52.65,;13.84,-53.42,;15.17,-52.65,;16.51,-53.42,;17.84,-54.17,;15.17,-51.1,;16.5,-50.33,)| Show InChI InChI=1S/C23H19N5/c1-3-22-26-27-23(28(22)21-11-7-10-18(14-24)16(21)2)19-12-13-20(25-15-19)17-8-5-4-6-9-17/h4-13,15H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...				J Med Chem 56: 5744-56 (2014) Article DOI: 10.1021/jm400383w BindingDB Entry DOI: 10.7270/Q2D79CVX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (attus norvegicus (Rat))	BDBM50439754 (CHEMBL2419440) Show SMILES CCc1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1cccc(C#N)c1C |(17.73,-47.68,;16.46,-48.55,;15.07,-47.89,;14.59,-46.43,;13.05,-46.43,;12.58,-47.9,;11.25,-48.66,;9.92,-47.87,;8.58,-48.63,;8.57,-50.17,;9.91,-50.95,;11.24,-50.19,;7.24,-50.94,;5.91,-50.15,;4.57,-50.92,;4.56,-52.46,;5.9,-53.23,;7.23,-52.47,;13.83,-48.8,;13.83,-50.34,;12.5,-51.11,;12.5,-52.65,;13.84,-53.42,;15.17,-52.65,;16.51,-53.42,;17.84,-54.17,;15.17,-51.1,;16.5,-50.33,)| Show InChI InChI=1S/C23H19N5/c1-3-22-26-27-23(28(22)21-11-7-10-18(14-24)16(21)2)19-12-13-20(25-15-19)17-8-5-4-6-9-17/h4-13,15H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...				J Med Chem 56: 5744-56 (2014) Article DOI: 10.1021/jm400383w BindingDB Entry DOI: 10.7270/Q2D79CVX
					More data for this Ligand-Target Pair