BindingDB PrimarySearch

BDBM50060603 (3S,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-5-oxo-hexahydro-pyrrolo[2,1-b]thiazole-3-carboxylic acid amide

SMILES: NC(=O)[C@H]1CS[C@@H]2CC(N3CC(=O)N4CCC[C@H]4C3=O)C(=O)N12

InChI Key: InChIKey=CKWXMNDKAZLYMW-DUFLWWROSA-N

Data: 8 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50060603
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
D(2) dopamine receptor (BOVINE)	BDBM50060603 ((3S,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Percentage of receptor in the low affinity form for the compound to Dopamine receptor D2 in absence of Gpp(NH)p (pre treated with 100 nM)				J Med Chem 40: 3594-600 (1997) Article DOI: 10.1021/jm970328b BindingDB Entry DOI: 10.7270/Q2HX1DBD
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50060603 ((3S,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory constant of compound in presence of Gpp(NH)p (Pre treated with 100 nM) calculated for the high affinity components of the [3H]spiroperidol...				J Med Chem 40: 3594-600 (1997) Article DOI: 10.1021/jm970328b BindingDB Entry DOI: 10.7270/Q2HX1DBD
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50060603 ((3S,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory constant of compound in absence of Gpp(NH)p calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine recept...				J Med Chem 40: 3594-600 (1997) Article DOI: 10.1021/jm970328b BindingDB Entry DOI: 10.7270/Q2HX1DBD
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50060603 ((3S,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory constant of compound in presence of Gpp(NH)p calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine recep...				J Med Chem 40: 3594-600 (1997) Article DOI: 10.1021/jm970328b BindingDB Entry DOI: 10.7270/Q2HX1DBD
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50060603 ((3S,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory constant of compound in presence of Gpp(NH)p (Pre treated with 100 nM) calculated for the low affinity components of the [3H]spiroperidol ...				J Med Chem 40: 3594-600 (1997) Article DOI: 10.1021/jm970328b BindingDB Entry DOI: 10.7270/Q2HX1DBD
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50060603 ((3S,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory constant of compound in absence of Gpp(NH)p (Pre treated with 100 nM) calculated for the high affinity components of the [3H]spiroperidol ...				J Med Chem 40: 3594-600 (1997) Article DOI: 10.1021/jm970328b BindingDB Entry DOI: 10.7270/Q2HX1DBD
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50060603 ((3S,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory constant of compound in absence of Gpp(NH)p calculated for the low affinity components of the [3H]spiroperidol binding to Dopamine recepto...				J Med Chem 40: 3594-600 (1997) Article DOI: 10.1021/jm970328b BindingDB Entry DOI: 10.7270/Q2HX1DBD
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50060603 ((3S,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory constant of compound in presence of Gpp(NH)p calculated for the low affinity components of the [3H]spiroperidol binding to Dopamine recept...				J Med Chem 40: 3594-600 (1997) Article DOI: 10.1021/jm970328b BindingDB Entry DOI: 10.7270/Q2HX1DBD
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair