Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50036158   

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 (Rattus norvegicus (rat))	BDBM50368656 (CHEMBL1204307 | CHEMBL1744111) Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCN3CCCNC3=S)CC2)c2ccc(F)cc12 Show InChI InChI=1S/C25H30F2N4S/c26-19-4-2-18(3-5-19)22-17-24(21-7-6-20(27)16-23(21)22)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50368656 (CHEMBL1204307 | CHEMBL1744111) Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCN3CCCNC3=S)CC2)c2ccc(F)cc12 Show InChI InChI=1S/C25H30F2N4S/c26-19-4-2-18(3-5-19)22-17-24(21-7-6-20(27)16-23(21)22)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50368675 (CHEMBL1744113) Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCN3CCCNC3=O)CC2)c2ccc(F)cc12 Show InChI InChI=1S/C25H30F2N4O/c26-19-4-2-18(3-5-19)22-17-24(21-7-6-20(27)16-23(21)22)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50368661 (CHEMBL1744121) Show SMILES CC(C)N1CCN(CCN2CCN(CC2)C2CC(c3cc(Cl)ccc23)c2ccc(F)cc2)C1=O Show InChI InChI=1S/C27H34ClFN4O/c1-19(2)33-16-15-32(27(33)34)14-11-30-9-12-31(13-10-30)26-18-24(20-3-6-22(29)7-4-20)25-17-21(28)5-8-23(25)26/h3-8,17,19,24,26H,9-16,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50045614 (2-{4-[5-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-pip...) Show SMILES OCCN1CCN(CC1)C1CC(c2cc(F)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(18-6-5-17(23)13-20(18)19)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50045614 (2-{4-[5-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-pip...) Show SMILES OCCN1CCN(CC1)C1CC(c2cc(F)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(18-6-5-17(23)13-20(18)19)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50045636 (3-(2-{4-[5-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-...) Show SMILES Cl.Cl.OCCN1CCN(CC1)C1CC(c2cc(Cl)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24ClFN2O.2ClH/c22-16-3-6-18-20(13-16)19(15-1-4-17(23)5-2-15)14-21(18)25-9-7-24(8-10-25)11-12-26;;/h1-6,13,19,21,26H,7-12,14H2;2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50368668 (CHEMBL1788128) Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCN3CCCNC3=S)CC2)c2ccc(Cl)cc12 Show InChI InChI=1S/C25H30ClFN4S/c26-19-4-7-21-23(16-19)22(18-2-5-20(27)6-3-18)17-24(21)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50368668 (CHEMBL1788128) Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCN3CCCNC3=S)CC2)c2ccc(Cl)cc12 Show InChI InChI=1S/C25H30ClFN4S/c26-19-4-7-21-23(16-19)22(18-2-5-20(27)6-3-18)17-24(21)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50368661 (CHEMBL1744121) Show SMILES CC(C)N1CCN(CCN2CCN(CC2)C2CC(c3cc(Cl)ccc23)c2ccc(F)cc2)C1=O Show InChI InChI=1S/C27H34ClFN4O/c1-19(2)33-16-15-32(27(33)34)14-11-30-9-12-31(13-10-30)26-18-24(20-3-6-22(29)7-4-20)25-17-21(28)5-8-23(25)26/h3-8,17,19,24,26H,9-16,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50368657 (CHEMBL1744114) Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCN3CCCNC3=O)CC2)c2ccc(Cl)cc12 Show InChI InChI=1S/C25H30ClFN4O/c26-19-4-7-21-23(16-19)22(18-2-5-20(27)6-3-18)17-24(21)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50045636 (3-(2-{4-[5-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-...) Show SMILES Cl.Cl.OCCN1CCN(CC1)C1CC(c2cc(Cl)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24ClFN2O.2ClH/c22-16-3-6-18-20(13-16)19(15-1-4-17(23)5-2-15)14-21(18)25-9-7-24(8-10-25)11-12-26;;/h1-6,13,19,21,26H,7-12,14H2;2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair