Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 12 entry = 50014636   

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
D(3) dopamine receptor (Homo sapiens)	BDBM50018958 (CHEBI:75401 | QUINPIROLE) Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2 Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50018958 (CHEBI:75401 | QUINPIROLE) Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2 Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50578333 (CHEMBL4862890) Show SMILES COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2ccc(=O)[nH]c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50578333 (CHEMBL4862890) Show SMILES COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2ccc(=O)[nH]c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50578339 (CHEMBL4875081) Show SMILES COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50578335 (CHEMBL4863832) Show SMILES COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.80	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50578337 (CHEMBL4862770) Show SMILES COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2CCC(=O)Nc2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50578337 (CHEMBL4862770) Show SMILES COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2CCC(=O)Nc2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50578339 (CHEMBL4875081) Show SMILES COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50578335 (CHEMBL4863832) Show SMILES COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.80	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01327 BindingDB Entry DOI: 10.7270/Q2BG2SS4
					More data for this Ligand-Target Pair