Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50036830   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.210	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 Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.40	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 Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50010586 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.40	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 Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50090829 ((trans)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa...) Show SMILES CCCN1CCOC2C1CSc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	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 Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50090828 ((-)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...) Show SMILES CCCN1CCO[C@H]2[C@H]1CSc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	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 Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50090832 ((cis)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9...) Show SMILES CCCN1CCO[C@H]2[C@@H]1CSc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	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 Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50090834 (9-Oxo-1-propyl-2,3,4a,9,10,10a-hexahydro-1H-4-oxa-...) Show SMILES CCCN1CCOC2C1CS(=O)c1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3S/c1-2-5-15-6-7-18-14-11-8-10(16)3-4-13(11)19(17)9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	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 Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50090830 ((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...) Show SMILES CCCN1CCO[C@@H]2[C@@H]1CSc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+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 Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50090833 ((cis)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dio...) Show SMILES CCCN1CCO[C@H]2[C@@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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 Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50090831 ((-)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...) Show SMILES CCCN1CCO[C@@H]2[C@@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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 Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells				J Med Chem 43: 2871-82 (2000) BindingDB Entry DOI: 10.7270/Q2X067R1
					More data for this Ligand-Target Pair