Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50008431   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50073274 (3-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...) Show SMILES Cc1cc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2oc1=O Show InChI InChI=1S/C23H26N2O3/c1-18-16-19-8-9-21(17-22(19)28-23(18)26)27-15-5-10-24-11-13-25(14-12-24)20-6-3-2-4-7-20/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the inhibition of [3H]-8-OH-DPAT binding to rat hippocampus membrane (5-HT1A receptor)				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50073273 (3,4-Dimethyl-7-[3-(4-phenyl-piperazin-1-yl)-propox...) Show SMILES Cc1c(C)c(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C24H28N2O3/c1-18-19(2)24(27)29-23-17-21(9-10-22(18)23)28-16-6-11-25-12-14-26(15-13-25)20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the inhibition of [3H]-8-OH-DPAT binding to rat hippocampus membrane (5-HT1A receptor)				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50073272 (4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...) Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the inhibition of [3H]-8-OH-DPAT binding to rat hippocampus membrane (5-HT1A receptor)				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50073271 (7-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-chromen-2-...) Show SMILES O=c1ccc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2o1 Show InChI InChI=1S/C22H24N2O3/c25-22-10-8-18-7-9-20(17-21(18)27-22)26-16-4-11-23-12-14-24(15-13-23)19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the inhibition of [3H]-8-OH-DPAT binding to rat hippocampus membrane (5-HT1A receptor)				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50073273 (3,4-Dimethyl-7-[3-(4-phenyl-piperazin-1-yl)-propox...) Show SMILES Cc1c(C)c(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C24H28N2O3/c1-18-19(2)24(27)29-23-17-21(9-10-22(18)23)28-16-6-11-25-12-14-26(15-13-25)20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in homogenated mouse fibroblast (LTK) cells transfected with human Dopamine receptor D2A using [3H]-ra...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50073274 (3-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...) Show SMILES Cc1cc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2oc1=O Show InChI InChI=1S/C23H26N2O3/c1-18-16-19-8-9-21(17-22(19)28-23(18)26)27-15-5-10-24-11-13-25(14-12-24)20-6-3-2-4-7-20/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in homogenated mouse fibroblast (LTK) cells transfected with human Dopamine receptor D2A using [3H]-ra...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50073272 (4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...) Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in homogenated mouse fibroblast (LTK) cells transfected with human Dopamine receptor D2A using [3H]-ra...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50073271 (7-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-chromen-2-...) Show SMILES O=c1ccc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2o1 Show InChI InChI=1S/C22H24N2O3/c25-22-10-8-18-7-9-20(17-21(18)27-22)26-16-4-11-23-12-14-24(15-13-23)19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in homogenated mouse fibroblast (LTK) cells transfected with human Dopamine receptor D2A using [3H]-ra...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50073274 (3-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...) Show SMILES Cc1cc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2oc1=O Show InChI InChI=1S/C23H26N2O3/c1-18-16-19-8-9-21(17-22(19)28-23(18)26)27-15-5-10-24-11-13-25(14-12-24)20-6-3-2-4-7-20/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in chinese hamster ovary (CHO) cells transfected with human Dopamine receptor D3 using [3H]-raclopride...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50073273 (3,4-Dimethyl-7-[3-(4-phenyl-piperazin-1-yl)-propox...) Show SMILES Cc1c(C)c(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C24H28N2O3/c1-18-19(2)24(27)29-23-17-21(9-10-22(18)23)28-16-6-11-25-12-14-26(15-13-25)20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in chinese hamster ovary (CHO) cells transfected with human Dopamine receptor D3 using [3H]-raclopride...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50073271 (7-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-chromen-2-...) Show SMILES O=c1ccc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2o1 Show InChI InChI=1S/C22H24N2O3/c25-22-10-8-18-7-9-20(17-21(18)27-22)26-16-4-11-23-12-14-24(15-13-23)19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in chinese hamster ovary (CHO) cells transfected with human Dopamine receptor D3 using [3H]-raclopride...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50073272 (4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...) Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in chinese hamster ovary (CHO) cells transfected with human Dopamine receptor D3 using [3H]-raclopride...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair