BDBM50229711 CHEMBL4074873

SMILES: [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1

InChI Key: InChIKey=QODWZTUPLVMSQR-HZPDHXFCSA-N

Data: 1 Kd  11 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50229711   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glycine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50229711 (CHEMBL4074873) Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Positive allosteric modulation of human glycine alpha3 receptor expressed in HEK293T cells assessed as potentiation of glycine-induced increase in ch...				J Med Chem 60: 1105-1125 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CP4
					More data for this Ligand-Target Pair
Glycine receptor alpha-3/beta (Homo sapiens (Human))	BDBM50229711 (CHEMBL4074873) Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity to human glycine alpha3 receptor expressed in HEK293T cells by SPR assay				J Med Chem 60: 1105-1125 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CP4
					More data for this Ligand-Target Pair
Glycine receptor alpha-3/beta (Homo sapiens (Human))	BDBM50229711 (CHEMBL4074873) Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Positive allosteric modulation of human glycine alpha3beta receptor expressed in HEK293T cells assessed as glycine-induced increase in current respon...				Bioorg Med Chem Lett 27: 3207-3218 (2017) Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR
					More data for this Ligand-Target Pair
Glycine receptor alpha-3/beta (Homo sapiens (Human))	BDBM50229711 (CHEMBL4074873) Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	454	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Positive allosteric modulation of human glycine alpha3 receptor expressed in HEK293T cells assessed as glycine-induced increase in current response a...				Bioorg Med Chem Lett 27: 3207-3218 (2017) Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR
					More data for this Ligand-Target Pair
Glycine receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50229711 (CHEMBL4074873) Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	327	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Positive allosteric modulation of human glycine alpha1 receptor expressed in HEK293T cells assessed as glycine-induced increase incurrent response af...				Bioorg Med Chem Lett 27: 3207-3218 (2017) Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR
					More data for this Ligand-Target Pair
Glycine receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50229711 (CHEMBL4074873) Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	327	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Positive allosteric modulation of human GlyRalpha1 expressed in HEK293 cells assessed as potentiation of glycine-induced calcium flux by calcium dye-...				J Med Chem 61: 2652-2679 (2018) Article DOI: 10.1021/acs.jmedchem.7b00956 BindingDB Entry DOI: 10.7270/Q23B62RZ
					More data for this Ligand-Target Pair
Glycine receptor (alpha-1/beta) (Homo sapiens (Human))	BDBM50229711 (CHEMBL4074873) Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	171	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Positive allosteric modulation of human GlyRalpha1beta expressed in HEK293 cells assessed as potentiation of glycine-induced calcium flux by calcium ...				J Med Chem 61: 2652-2679 (2018) Article DOI: 10.1021/acs.jmedchem.7b00956 BindingDB Entry DOI: 10.7270/Q23B62RZ
					More data for this Ligand-Target Pair
Glycine receptor alpha-3/beta (Homo sapiens (Human))	BDBM50229711 (CHEMBL4074873) Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Positive allosteric modulation of human GlyRalpha3beta expressed in HEK293 cells assessed as potentiation of glycine-induced calcium flux by calcium ...				J Med Chem 61: 2652-2679 (2018) Article DOI: 10.1021/acs.jmedchem.7b00956 BindingDB Entry DOI: 10.7270/Q23B62RZ
					More data for this Ligand-Target Pair
Glycine receptor subunit alpha-1 (Mus musculus)	BDBM50229711 (CHEMBL4074873) Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	268	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Positive allosteric modulation of mouse GlyRalpha1 expressed in HEK293 cells assessed as potentiation of glycine-induced calcium flux by calcium dye-...				J Med Chem 61: 2652-2679 (2018) Article DOI: 10.1021/acs.jmedchem.7b00956 BindingDB Entry DOI: 10.7270/Q23B62RZ
					More data for this Ligand-Target Pair
Glycine receptor subunit alpha-3 (Mus musculus)	BDBM50229711 (CHEMBL4074873) Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Positive allosteric modulation of mouse GlyRalpha3 expressed in HEK293 cells assessed as potentiation of glycine-induced calcium flux by calcium dye-...				J Med Chem 61: 2652-2679 (2018) Article DOI: 10.1021/acs.jmedchem.7b00956 BindingDB Entry DOI: 10.7270/Q23B62RZ
					More data for this Ligand-Target Pair
Glycine receptor alpha-3/beta (Homo sapiens (Human))	BDBM50229711 (CHEMBL4074873) Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	454	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Positive allosteric modulation of human GlyRalpha3 expressed in HEK293 cells assessed as potentiation of glycine-induced calcium flux by calcium dye-...				J Med Chem 61: 2652-2679 (2018) Article DOI: 10.1021/acs.jmedchem.7b00956 BindingDB Entry DOI: 10.7270/Q23B62RZ
					More data for this Ligand-Target Pair
Glycine receptor (alpha-1/beta) (Homo sapiens (Human))	BDBM50229711 (CHEMBL4074873) Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	171	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Positive allosteric modulation of human glycine alpha1beta receptor expressed in HEK293T cells assessed as glycine-induced increase in current respon...				Bioorg Med Chem Lett 27: 3207-3218 (2017) Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR
					More data for this Ligand-Target Pair