Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 4982   

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))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50005120 (CHEMBL274491 | N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50005120 (CHEMBL274491 | N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50005120 (CHEMBL274491 | N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50005120 (CHEMBL274491 | N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50005120 (CHEMBL274491 | N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50005120 (CHEMBL274491 | N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84637 (CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...) Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r| Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008735 ((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50008735 ((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50008735 ((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	11.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM84637 (CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...) Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r| Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	15.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM84637 (CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...) Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r| Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	19.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM11638 (CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...) Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM11638 (CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...) Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	21.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	22.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM84637 (CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...) Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r| Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	29.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	34.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50008735 ((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	41.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50008735 ((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	51.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM11638 (CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...) Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM11638 (CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...) Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM11638 (CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...) Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	71.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84637 (CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...) Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r| Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM81791 (Dopamine + GPP(NH)p | GPP(NH)P(+) | GPP(NH)p(-) | ...) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	177	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM11638 (CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...) Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	207	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM81791 (Dopamine + GPP(NH)p | GPP(NH)P(+) | GPP(NH)p(-) | ...) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	264	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM81791 (Dopamine + GPP(NH)p | GPP(NH)P(+) | GPP(NH)p(-) | ...) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	617	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM81791 (Dopamine + GPP(NH)p | GPP(NH)P(+) | GPP(NH)p(-) | ...) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM84637 (CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...) Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r| Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 495-502 (1994) BindingDB Entry DOI: 10.7270/Q2S75DWP
					More data for this Ligand-Target Pair