Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50004917'   

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(1A) dopamine receptor (RAT)	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by PDSP Ki Database									Eur J Pharmacol 474: 137-40 (2003) Article DOI: 10.1016/s0014-2999(03)02008-9 BindingDB Entry DOI: 10.7270/Q2DN43MQ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at Dopamine receptor D1				J Med Chem 34: 3366-71 (1992) BindingDB Entry DOI: 10.7270/Q26H4J17
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP Ki Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Research Biochemicals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum				J Med Chem 35: 1466-71 (1992) BindingDB Entry DOI: 10.7270/Q26H4GCW
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Agonist activity at human dopamine D1 receptor expressed in CHOK1 cells assessed as assessed as increase in beta-arrestin-2 recruitment after 60 mins...				J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435 BindingDB Entry DOI: 10.7270/Q2F76GX7
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004917 (3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1 Show InChI InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.730	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Agonist activity at human dopamine D1 receptor expressed in CHOK1 cells assessed as reversal of Ro 20-1724 mediated decrease in cAMP accumulation aft...				J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435 BindingDB Entry DOI: 10.7270/Q2F76GX7
					More data for this Ligand-Target Pair