Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50012870   

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(2) dopamine receptor (BOVINE)	BDBM50123627 ((S)-6-Dipropylamino-5,6,7,8-tetrahydro-naphthalene...) Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H25NO2/c1-3-9-17(10-4-2)13-6-7-14-12(11-13)5-8-15(18)16(14)19/h5,8,13,18-19H,3-4,6-7,9-11H2,1-2H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Binding affinity of compound for Dopamine receptor D2 using [3H]-N-0437				J Med Chem 46: 584-90 (2003) Article DOI: 10.1021/jm020990u BindingDB Entry DOI: 10.7270/Q2H41QS1
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (BOVINE)	BDBM50123627 ((S)-6-Dipropylamino-5,6,7,8-tetrahydro-naphthalene...) Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H25NO2/c1-3-9-17(10-4-2)13-6-7-14-12(11-13)5-8-15(18)16(14)19/h5,8,13,18-19H,3-4,6-7,9-11H2,1-2H3/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390				J Med Chem 46: 584-90 (2003) Article DOI: 10.1021/jm020990u BindingDB Entry DOI: 10.7270/Q2H41QS1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50123625 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C19H25NO2S/c1-2-10-20(11-9-16-4-3-12-23-16)15-6-7-17-14(13-15)5-8-18(21)19(17)22/h3-5,8,12,15,21-22H,2,6-7,9-11,13H2,1H3/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Binding affinity of compound for Dopamine receptor D2 using [3H]-N-0437				J Med Chem 46: 584-90 (2003) Article DOI: 10.1021/jm020990u BindingDB Entry DOI: 10.7270/Q2H41QS1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Binding affinity of compound for Dopamine receptor D2 using [3H]-N-0437				J Med Chem 46: 584-90 (2003) Article DOI: 10.1021/jm020990u BindingDB Entry DOI: 10.7270/Q2H41QS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (BOVINE)	BDBM50123625 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C19H25NO2S/c1-2-10-20(11-9-16-4-3-12-23-16)15-6-7-17-14(13-15)5-8-18(21)19(17)22/h3-5,8,12,15,21-22H,2,6-7,9-11,13H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390				J Med Chem 46: 584-90 (2003) Article DOI: 10.1021/jm020990u BindingDB Entry DOI: 10.7270/Q2H41QS1
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (BOVINE)	BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390				J Med Chem 46: 584-90 (2003) Article DOI: 10.1021/jm020990u BindingDB Entry DOI: 10.7270/Q2H41QS1
					More data for this Ligand-Target Pair				3D Structure (crystal)