Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 4979   

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 (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	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM81777 (CAS_132-66-1 | NPA | NPA,(+) | NPA,(-) | NSC_8594) Show SMILES OC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50012994 (6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quino...) Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84632 (CAS_132-66-1 | NPA-11-OH-R,(-)) Show SMILES CCCN1CCc2cccc-3c2[C@@H]1Cc1cccc(O)c-31 |r| Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM81777 (CAS_132-66-1 | NPA | NPA,(+) | NPA,(-) | NSC_8594) Show SMILES OC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) 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	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM81993 (BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...) Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28| Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) 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	DrugBank Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM29643 ((6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(4) 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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84632 (CAS_132-66-1 | NPA-11-OH-R,(-)) Show SMILES CCCN1CCc2cccc-3c2[C@@H]1Cc1cccc(O)c-31 |r| Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					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	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) 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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	147	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84636 (CHEMBL27559 | NPA-11-OH-R,(+)) Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31 |r| Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50012994 (6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quino...) Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM81993 (BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...) Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28| Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	285	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM29643 ((6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM81195 ((+/-)-2-Amino-6,7-dihydroxy-1,2,3,4-tetrahydronaph...) Show SMILES NC1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	393	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84635 (AI-OH-DP,(-)) Show SMILES CN(C)[C@@H]1CCc2c1cccc2O |r| Show InChI InChI=1S/C11H15NO/c1-12(2)10-7-6-9-8(10)4-3-5-11(9)13/h3-5,10,13H,6-7H2,1-2H3/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	486	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					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	Article PubMed	608	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) 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	DrugBank Article PubMed	684	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84636 (CHEMBL27559 | NPA-11-OH-R,(+)) Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31 |r| Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	789	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84635 (AI-OH-DP,(-)) Show SMILES CN(C)[C@@H]1CCc2c1cccc2O |r| Show InChI InChI=1S/C11H15NO/c1-12(2)10-7-6-9-8(10)4-3-5-11(9)13/h3-5,10,13H,6-7H2,1-2H3/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	867	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					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	Article PubMed	965	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84631 (CAS_57533 | NSC_57533 | PHNO,(-)) Show SMILES CCCN1CCOC2[C@@H]1CCc1ccc(O)cc21 |r| 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?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					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	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84633 (AI-OH-DP,(+)) Show SMILES CN(C)[C@H]1CCc2c1cccc2O |r| Show InChI InChI=1S/C11H15NO/c1-12(2)10-7-6-9-8(10)4-3-5-11(9)13/h3-5,10,13H,6-7H2,1-2H3/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84634 (CAS_54562 | NSC_54562 | Quinpirole,(+)) 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-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84634 (CAS_54562 | NSC_54562 | Quinpirole,(+)) 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-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84633 (AI-OH-DP,(+)) Show SMILES CN(C)[C@H]1CCc2c1cccc2O |r| Show InChI InChI=1S/C11H15NO/c1-12(2)10-7-6-9-8(10)4-3-5-11(9)13/h3-5,10,13H,6-7H2,1-2H3/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84631 (CAS_57533 | NSC_57533 | PHNO,(-)) Show SMILES CCCN1CCOC2[C@@H]1CCc1ccc(O)cc21 |r| 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?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	8.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair
D(2) 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	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP Ki Database									Eur J Pharmacol 233: 173-4 (1993) Article DOI: 10.1016/0014-2999(93)90365-o BindingDB Entry DOI: 10.7270/Q25D8QBH
					More data for this Ligand-Target Pair