Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50005094   

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))	BDBM50020221 ((-)-5-hydroxy-2-(dipropylamino)tetralin | (-)-6-(d...) Show SMILES CCCN(CCC)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells.				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50032644 (CHEMBL110888 | N*6*,N*6*-Dipropyl-5,6,7,8-tetrahyd...) Show SMILES CCCN(CCC)C1CCc2nc(N)ccc2C1 Show InChI InChI=1S/C15H25N3/c1-3-9-18(10-4-2)13-6-7-14-12(11-13)5-8-15(16)17-14/h5,8,13H,3-4,6-7,9-11H2,1-2H3,(H2,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells.				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50032643 (CHEMBL105512 | N*6*,N*6*-Dipropyl-4,5,6,7-tetrahyd...) Show SMILES CCCN(CCC)C1CCc2nc(N)sc2C1 Show InChI InChI=1S/C13H23N3S/c1-3-7-16(8-4-2)10-5-6-11-12(9-10)17-13(14)15-11/h10H,3-9H2,1-2H3,(H2,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50032644 (CHEMBL110888 | N*6*,N*6*-Dipropyl-5,6,7,8-tetrahyd...) Show SMILES CCCN(CCC)C1CCc2nc(N)ccc2C1 Show InChI InChI=1S/C15H25N3/c1-3-9-18(10-4-2)13-6-7-14-12(11-13)5-8-15(16)17-14/h5,8,13H,3-4,6-7,9-11H2,1-2H3,(H2,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-N-0437 from human Dopamine receptor D2 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50032641 (CHEMBL105977 | Dipropyl-(5,6,7,8-tetrahydro-quinol...) Show SMILES CCCN(CCC)C1CCc2ncccc2C1 Show InChI InChI=1S/C15H24N2/c1-3-10-17(11-4-2)14-7-8-15-13(12-14)6-5-9-16-15/h5-6,9,14H,3-4,7-8,10-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells.				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020221 ((-)-5-hydroxy-2-(dipropylamino)tetralin | (-)-6-(d...) Show SMILES CCCN(CCC)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-N-0437 from human Dopamine receptor D2 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50032644 (CHEMBL110888 | N*6*,N*6*-Dipropyl-5,6,7,8-tetrahyd...) Show SMILES CCCN(CCC)C1CCc2nc(N)ccc2C1 Show InChI InChI=1S/C15H25N3/c1-3-9-18(10-4-2)13-6-7-14-12(11-13)5-8-15(16)17-14/h5,8,13H,3-4,6-7,9-11H2,1-2H3,(H2,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D2 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020221 ((-)-5-hydroxy-2-(dipropylamino)tetralin | (-)-6-(d...) Show SMILES CCCN(CCC)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D2 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50032642 (CHEMBL318740 | Dipropyl-(4,5,6,7-tetrahydro-2H-ind...) Show SMILES CCCN(CCC)C1CCc2[nH]ncc2C1 Show InChI InChI=1S/C13H23N3/c1-3-7-16(8-4-2)12-5-6-13-11(9-12)10-14-15-13/h10,12H,3-9H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50032643 (CHEMBL105512 | N*6*,N*6*-Dipropyl-4,5,6,7-tetrahyd...) Show SMILES CCCN(CCC)C1CCc2nc(N)sc2C1 Show InChI InChI=1S/C13H23N3S/c1-3-7-16(8-4-2)10-5-6-11-12(9-10)17-13(14)15-11/h10H,3-9H2,1-2H3,(H2,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-N-0437 from human Dopamine receptor D2 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50032640 ((2-Methoxy-5,6,7,8-tetrahydro-quinolin-6-yl)-dipro...) Show SMILES CCCN(CCC)C1CCc2nc(OC)ccc2C1 Show InChI InChI=1S/C16H26N2O/c1-4-10-18(11-5-2)14-7-8-15-13(12-14)6-9-16(17-15)19-3/h6,9,14H,4-5,7-8,10-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells.				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50032639 ((6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...) Show SMILES CCCN(CCC)C1CCc2cc(OC)ccc2C1 Show InChI InChI=1S/C17H27NO/c1-4-10-18(11-5-2)16-8-6-15-13-17(19-3)9-7-14(15)12-16/h7,9,13,16H,4-6,8,10-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	366	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells.				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50032643 (CHEMBL105512 | N*6*,N*6*-Dipropyl-4,5,6,7-tetrahyd...) Show SMILES CCCN(CCC)C1CCc2nc(N)sc2C1 Show InChI InChI=1S/C13H23N3S/c1-3-7-16(8-4-2)10-5-6-11-12(9-10)17-13(14)15-11/h10H,3-9H2,1-2H3,(H2,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	462	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D2 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50032641 (CHEMBL105977 | Dipropyl-(5,6,7,8-tetrahydro-quinol...) Show SMILES CCCN(CCC)C1CCc2ncccc2C1 Show InChI InChI=1S/C15H24N2/c1-3-10-17(11-4-2)14-7-8-15-13(12-14)6-5-9-16-15/h5-6,9,14H,3-4,7-8,10-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	466	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-N-0437 from human Dopamine receptor D2 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50032641 (CHEMBL105977 | Dipropyl-(5,6,7,8-tetrahydro-quinol...) Show SMILES CCCN(CCC)C1CCc2ncccc2C1 Show InChI InChI=1S/C15H24N2/c1-3-10-17(11-4-2)14-7-8-15-13(12-14)6-5-9-16-15/h5-6,9,14H,3-4,7-8,10-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	466	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-N-0437 from human Dopamine receptor D2 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50032642 (CHEMBL318740 | Dipropyl-(4,5,6,7-tetrahydro-2H-ind...) Show SMILES CCCN(CCC)C1CCc2[nH]ncc2C1 Show InChI InChI=1S/C13H23N3/c1-3-7-16(8-4-2)12-5-6-13-11(9-12)10-14-15-13/h10,12H,3-9H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	523	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-N-0437 from human Dopamine receptor D2 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50032640 ((2-Methoxy-5,6,7,8-tetrahydro-quinolin-6-yl)-dipro...) Show SMILES CCCN(CCC)C1CCc2nc(OC)ccc2C1 Show InChI InChI=1S/C16H26N2O/c1-4-10-18(11-5-2)14-7-8-15-13(12-14)6-9-16(17-15)19-3/h6,9,14H,4-5,7-8,10-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-N-0437 from human Dopamine receptor D2 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50032642 (CHEMBL318740 | Dipropyl-(4,5,6,7-tetrahydro-2H-ind...) Show SMILES CCCN(CCC)C1CCc2[nH]ncc2C1 Show InChI InChI=1S/C13H23N3/c1-3-7-16(8-4-2)12-5-6-13-11(9-12)10-14-15-13/h10,12H,3-9H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D2 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50032640 ((2-Methoxy-5,6,7,8-tetrahydro-quinolin-6-yl)-dipro...) Show SMILES CCCN(CCC)C1CCc2nc(OC)ccc2C1 Show InChI InChI=1S/C16H26N2O/c1-4-10-18(11-5-2)14-7-8-15-13(12-14)6-9-16(17-15)19-3/h6,9,14H,4-5,7-8,10-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D2 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50032639 ((6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...) Show SMILES CCCN(CCC)C1CCc2cc(OC)ccc2C1 Show InChI InChI=1S/C17H27NO/c1-4-10-18(11-5-2)16-8-6-15-13-17(19-3)9-7-14(15)12-16/h7,9,13,16H,4-6,8,10-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D2 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50032639 ((6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...) Show SMILES CCCN(CCC)C1CCc2cc(OC)ccc2C1 Show InChI InChI=1S/C17H27NO/c1-4-10-18(11-5-2)16-8-6-15-13-17(19-3)9-7-14(15)12-16/h7,9,13,16H,4-6,8,10-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D2 expressed in CHO-K1 cells				J Med Chem 38: 3132-7 (1995) BindingDB Entry DOI: 10.7270/Q28W3C9S
					More data for this Ligand-Target Pair