Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50006186   

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)	BDBM50007568 (1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...) Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Lund Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes				J Med Chem 36: 2878-85 (1993) BindingDB Entry DOI: 10.7270/Q2GQ6WVF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50029413 (1-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...) Show SMILES CN1CCN(CC1)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1 Show InChI InChI=1S/C20H22ClFN2/c1-23-8-10-24(11-9-23)20-13-18(14-2-5-16(22)6-3-14)17-7-4-15(21)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Lund Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes				J Med Chem 36: 2878-85 (1993) BindingDB Entry DOI: 10.7270/Q2GQ6WVF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50002015 (5-Chloro-1-(4-fluoro-phenyl)-3-(1-methyl-1,2,3,6-t...) Show SMILES CN1CCC(=CC1)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 |c:4| Show InChI InChI=1S/C20H18ClFN2/c1-23-10-8-14(9-11-23)19-13-24(17-5-3-16(22)4-6-17)20-7-2-15(21)12-18(19)20/h2-8,12-13H,9-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Lund Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes				J Med Chem 36: 2878-85 (1993) BindingDB Entry DOI: 10.7270/Q2GQ6WVF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50045822 (4-[6-Chloro-3-(4-fluoro-phenyl)-3H-inden-1-yl]-1-m...) Show SMILES CN1CCC(CC1)C1=CC(c2ccc(Cl)cc12)c1ccc(F)cc1 |t:8| Show InChI InChI=1S/C21H21ClFN/c1-24-10-8-15(9-11-24)20-13-19(14-2-5-17(23)6-3-14)18-7-4-16(22)12-21(18)20/h2-7,12-13,15,19H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Lund Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes				J Med Chem 36: 2878-85 (1993) BindingDB Entry DOI: 10.7270/Q2GQ6WVF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50019966 (2-{4-[(1R,3S)-3-(4-Fluoro-phenyl)-6-trifluoromethy...) Show SMILES OCCN1CCN(CC1)[C@@H]1C[C@H](c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1 Show InChI InChI=1S/C22H24F4N2O/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20/h1-6,13,19,21,29H,7-12,14H2/t19-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Lund Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes				J Med Chem 36: 2878-85 (1993) BindingDB Entry DOI: 10.7270/Q2GQ6WVF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50045823 (4-[6-Chloro-3-(4-fluoro-phenyl)-3H-inden-1-yl]-1-m...) Show SMILES CN1CCC(=CC1)C1=CC(c2ccc(Cl)cc12)c1ccc(F)cc1 |c:4,t:8| Show InChI InChI=1S/C21H19ClFN/c1-24-10-8-15(9-11-24)20-13-19(14-2-5-17(23)6-3-14)18-7-4-16(22)12-21(18)20/h2-8,12-13,19H,9-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Lund Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes				J Med Chem 36: 2878-85 (1993) BindingDB Entry DOI: 10.7270/Q2GQ6WVF
					More data for this Ligand-Target Pair