Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 5453   

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))	BDBM86463 ((+)-6-fluorodinapsoline hydrobromide | CAS_0 | NSC...) Show SMILES Oc1ccc2[C@@H]3CNCc4ccc(F)c(Cc2c1O)c34 Show InChI InChI=1S/C16H14FNO2/c17-13-3-1-8-6-18-7-12-9-2-4-14(19)16(20)10(9)5-11(13)15(8)12/h1-4,12,18-20H,5-7H2/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50117182 (2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinoline-...) Show SMILES Oc1ccc2C3CNCc4cccc(Cc2c1O)c34 Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50117181 ((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...) Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34 Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86454 (6-ethyldinapsoline hydrobromide) Show SMILES CCc1ccc2CNC[C@H]3c4ccc(O)c(O)c4Cc1c23 Show InChI InChI=1S/C18H19NO2/c1-2-10-3-4-11-8-19-9-15-12-5-6-16(20)18(21)14(12)7-13(10)17(11)15/h3-6,15,19-21H,2,7-9H2,1H3/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM86456 (4-hydroxydinapsoline hydrobromide) Show SMILES Oc1ccc2[C@@H]3CNCc4c(O)ccc(Cc2c1O)c34 Show InChI InChI=1S/C16H15NO3/c18-13-3-1-8-5-10-9(2-4-14(19)16(10)20)11-6-17-7-12(13)15(8)11/h1-4,11,17-20H,5-7H2/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86178 ((+/-)-2-propyldinapsoline hydrobromide | Dinapsoli...) Show SMILES CCCN1C[C@H]2c3ccc(O)c(O)c3Cc3cccc(C1)c23 Show InChI InChI=1S/C19H21NO2/c1-2-8-20-10-13-5-3-4-12-9-15-14(16(11-20)18(12)13)6-7-17(21)19(15)22/h3-7,16,21-22H,2,8-11H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM86455 ((+/-)-11-chlorodinapsoline hydrobromide | CAS_0 | ...) Show SMILES Oc1cc(Cl)c2[C@@H]3CNCc4cccc(Cc2c1O)c34 Show InChI InChI=1S/C16H14ClNO2/c17-12-5-13(19)16(20)10-4-8-2-1-3-9-6-18-7-11(14(8)9)15(10)12/h1-3,5,11,18-20H,4,6-7H2/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86454 (6-ethyldinapsoline hydrobromide) Show SMILES CCc1ccc2CNC[C@H]3c4ccc(O)c(O)c4Cc1c23 Show InChI InChI=1S/C18H19NO2/c1-2-10-3-4-11-8-19-9-15-12-5-6-16(20)18(21)14(12)7-13(10)17(11)15/h3-6,15,19-21H,2,7-9H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM86459 (4-fluorodinapsoline hydrobromide | CAS_0 | NSC_0) Show SMILES Oc1ccc2[C@@H]3CNCc4c(F)ccc(Cc2c1O)c34 Show InChI InChI=1S/C16H14FNO2/c17-13-3-1-8-5-10-9(2-4-14(19)16(10)20)11-6-18-7-12(13)15(8)11/h1-4,11,18-20H,5-7H2/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50117181 ((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...) Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34 Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM86461 (1,2,3,11b-Tetrahydro[1]benzothiopyrano[4,3,2-de]is...) Show SMILES Oc1ccc2C3CNCc4cccc(Sc2c1O)c34 Show InChI InChI=1S/C15H13NO2S/c17-11-5-4-9-10-7-16-6-8-2-1-3-12(13(8)10)19-15(9)14(11)18/h1-5,10,16-18H,6-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50117181 ((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...) Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34 Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86462 ((+/-)-3-methyldinapsoline hydrobromide) Show SMILES CC1NC[C@H]2c3ccc(O)c(O)c3Cc3cccc1c23 Show InChI InChI=1S/C17H17NO2/c1-9-11-4-2-3-10-7-13-12(5-6-15(19)17(13)20)14(8-18-9)16(10)11/h2-6,9,14,18-20H,7-8H2,1H3/t9?,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50117182 (2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinoline-...) Show SMILES Oc1ccc2C3CNCc4cccc(Cc2c1O)c34 Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50117182 (2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinoline-...) Show SMILES Oc1ccc2C3CNCc4cccc(Cc2c1O)c34 Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86459 (4-fluorodinapsoline hydrobromide | CAS_0 | NSC_0) Show SMILES Oc1ccc2[C@@H]3CNCc4c(F)ccc(Cc2c1O)c34 Show InChI InChI=1S/C16H14FNO2/c17-13-3-1-8-5-10-9(2-4-14(19)16(10)20)11-6-18-7-12(13)15(8)11/h1-4,11,18-20H,5-7H2/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM86466 ((+/-)-2-methyldinapsoline hydrobromide | CAS_0 | N...) Show SMILES CN1C[C@H]2c3ccc(O)c(O)c3Cc3cccc(C1)c23 Show InChI InChI=1S/C17H17NO2/c1-18-8-11-4-2-3-10-7-13-12(14(9-18)16(10)11)5-6-15(19)17(13)20/h2-6,14,19-20H,7-9H2,1H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86456 (4-hydroxydinapsoline hydrobromide) Show SMILES Oc1ccc2[C@@H]3CNCc4c(O)ccc(Cc2c1O)c34 Show InChI InChI=1S/C16H15NO3/c18-13-3-1-8-5-10-9(2-4-14(19)16(10)20)11-6-17-7-12(13)15(8)11/h1-4,11,17-20H,5-7H2/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM86470 ((+/-)-3-perfluorobutyldinapsoline hydrobromide | C...) Show SMILES Oc1ccc2[C@@H]3CNC(c4cccc(Cc2c1O)c34)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Show InChI InChI=1S/C20H14F9NO2/c21-17(22,18(23,24)19(25,26)20(27,28)29)16-10-3-1-2-8-6-11-9(4-5-13(31)15(11)32)12(7-30-16)14(8)10/h1-5,12,16,30-32H,6-7H2/t12-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM86458 ((+/-)-3-n-butyldinapsoline hydrobromide) Show SMILES CCCCC1NC[C@H]2c3ccc(O)c(O)c3Cc3cccc1c23 Show InChI InChI=1S/C20H23NO2/c1-2-3-7-17-14-6-4-5-12-10-15-13(8-9-18(22)20(15)23)16(11-21-17)19(12)14/h4-6,8-9,16-17,21-23H,2-3,7,10-11H2,1H3/t16-,17?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86465 ((+/-)-7-methyldinapsoline hydrobromide) Show SMILES CC1c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23 Show InChI InChI=1S/C17H17NO2/c1-9-11-4-2-3-10-7-18-8-13(16(10)11)12-5-6-14(19)17(20)15(9)12/h2-6,9,13,18-20H,7-8H2,1H3/t9?,13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM86465 ((+/-)-7-methyldinapsoline hydrobromide) Show SMILES CC1c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23 Show InChI InChI=1S/C17H17NO2/c1-9-11-4-2-3-10-7-18-8-13(16(10)11)12-5-6-14(19)17(20)15(9)12/h2-6,9,13,18-20H,7-8H2,1H3/t9?,13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM86468 (4-fluoro-2,3,7,11b-tetrahydro-1H-pyrido[3,4,5-k]ac...) Show SMILES Oc1ccc2c3cncc4c(F)ccc([nH]c2c1O)c34 Show InChI InChI=1S/C15H9FN2O2/c16-10-2-3-11-13-8(5-17-6-9(10)13)7-1-4-12(19)15(20)14(7)18-11/h1-6,18-20H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM86464 ((-)-6-fluorodinapsoline hydrobromide | CAS_0 | NSC...) Show SMILES Oc1ccc2C3CNCc4ccc(F)c(Cc2c1O)c34 Show InChI InChI=1S/C16H14FNO2/c17-13-3-1-8-6-18-7-12-9-2-4-14(19)16(20)10(9)5-11(13)15(8)12/h1-4,12,18-20H,5-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86458 ((+/-)-3-n-butyldinapsoline hydrobromide) Show SMILES CCCCC1NC[C@H]2c3ccc(O)c(O)c3Cc3cccc1c23 Show InChI InChI=1S/C20H23NO2/c1-2-3-7-17-14-6-4-5-12-10-15-13(8-9-18(22)20(15)23)16(11-21-17)19(12)14/h4-6,8-9,16-17,21-23H,2-3,7,10-11H2,1H3/t16-,17?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	299	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86470 ((+/-)-3-perfluorobutyldinapsoline hydrobromide | C...) Show SMILES Oc1ccc2[C@@H]3CNC(c4cccc(Cc2c1O)c34)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Show InChI InChI=1S/C20H14F9NO2/c21-17(22,18(23,24)19(25,26)20(27,28)29)16-10-3-1-2-8-6-11-9(4-5-13(31)15(11)32)12(7-30-16)14(8)10/h1-5,12,16,30-32H,6-7H2/t12-,16?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86466 ((+/-)-2-methyldinapsoline hydrobromide | CAS_0 | N...) Show SMILES CN1C[C@H]2c3ccc(O)c(O)c3Cc3cccc(C1)c23 Show InChI InChI=1S/C17H17NO2/c1-18-8-11-4-2-3-10-7-13-12(14(9-18)16(10)11)5-6-15(19)17(13)20/h2-6,14,19-20H,7-9H2,1H3/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	382	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM86457 ((+/-)-7,7'-dimethyldinapsoline hydrobromide | ...) Show SMILES CC1(C)c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23 Show InChI InChI=1S/C18H19NO2/c1-18(2)13-5-3-4-10-8-19-9-12(15(10)13)11-6-7-14(20)17(21)16(11)18/h3-7,12,19-21H,8-9H2,1-2H3/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86460 ((+/-)-7-ethyldinapsoline hydrobromide) Show SMILES CCC1c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23 Show InChI InChI=1S/C18H19NO2/c1-2-11-12-5-3-4-10-8-19-9-14(16(10)12)13-6-7-15(20)18(21)17(11)13/h3-7,11,14,19-21H,2,8-9H2,1H3/t11?,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM86460 ((+/-)-7-ethyldinapsoline hydrobromide) Show SMILES CCC1c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23 Show InChI InChI=1S/C18H19NO2/c1-2-11-12-5-3-4-10-8-19-9-14(16(10)12)13-6-7-15(20)18(21)17(11)13/h3-7,11,14,19-21H,2,8-9H2,1H3/t11?,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86461 (1,2,3,11b-Tetrahydro[1]benzothiopyrano[4,3,2-de]is...) Show SMILES Oc1ccc2C3CNCc4cccc(Sc2c1O)c34 Show InChI InChI=1S/C15H13NO2S/c17-11-5-4-9-10-7-16-6-8-2-1-3-12(13(8)10)19-15(9)14(11)18/h1-5,10,16-18H,6-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	536	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86457 ((+/-)-7,7'-dimethyldinapsoline hydrobromide | ...) Show SMILES CC1(C)c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23 Show InChI InChI=1S/C18H19NO2/c1-18(2)13-5-3-4-10-8-19-9-12(15(10)13)11-6-7-14(20)17(21)16(11)18/h3-7,12,19-21H,8-9H2,1-2H3/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM86471 ((+/-)-7-methoxycarbonylmethyldinapsoline) Show SMILES COC(=O)CC1c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23 Show InChI InChI=1S/C19H19NO4/c1-24-16(22)7-13-11-4-2-3-10-8-20-9-14(17(10)11)12-5-6-15(21)19(23)18(12)13/h2-6,13-14,20-21,23H,7-9H2,1H3/t13?,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM86469 ((+/-)-11-nitrodinapsoline hydrobromide | CAS_0 | N...) Show SMILES Oc1cc(c2[C@@H]3CNCc4cccc(Cc2c1O)c34)N(=O)=O Show InChI InChI=1S/C16H14N2O4/c19-13-5-12(18(21)22)15-10(16(13)20)4-8-2-1-3-9-6-17-7-11(15)14(8)9/h1-3,5,11,17,19-20H,4,6-7H2/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86455 ((+/-)-11-chlorodinapsoline hydrobromide | CAS_0 | ...) Show SMILES Oc1cc(Cl)c2[C@@H]3CNCc4cccc(Cc2c1O)c34 Show InChI InChI=1S/C16H14ClNO2/c17-12-5-13(19)16(20)10-4-8-2-1-3-9-6-18-7-11(14(8)9)15(10)12/h1-3,5,11,18-20H,4,6-7H2/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50117183 (2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinoline-...) Show SMILES Oc1ccc2[C@H]3CNCc4cccc(Cc2c1O)c34 Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86462 ((+/-)-3-methyldinapsoline hydrobromide) Show SMILES CC1NC[C@H]2c3ccc(O)c(O)c3Cc3cccc1c23 Show InChI InChI=1S/C17H17NO2/c1-9-11-4-2-3-10-7-13-12(5-6-15(19)17(13)20)14(8-18-9)16(10)11/h2-6,9,14,18-20H,7-8H2,1H3/t9?,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86178 ((+/-)-2-propyldinapsoline hydrobromide | Dinapsoli...) Show SMILES CCCN1C[C@H]2c3ccc(O)c(O)c3Cc3cccc(C1)c23 Show InChI InChI=1S/C19H21NO2/c1-2-8-20-10-13-5-3-4-12-9-15-14(16(11-20)18(12)13)6-7-17(21)19(15)22/h3-7,16,21-22H,2,8-11H2,1H3/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86471 ((+/-)-7-methoxycarbonylmethyldinapsoline) Show SMILES COC(=O)CC1c2cccc3CNC[C@@H](c4ccc(O)c(O)c14)c23 Show InChI InChI=1S/C19H19NO4/c1-24-16(22)7-13-11-4-2-3-10-8-20-9-14(17(10)11)12-5-6-15(21)19(23)18(12)13/h2-6,13-14,20-21,23H,7-9H2,1H3/t13?,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86464 ((-)-6-fluorodinapsoline hydrobromide | CAS_0 | NSC...) Show SMILES Oc1ccc2C3CNCc4ccc(F)c(Cc2c1O)c34 Show InChI InChI=1S/C16H14FNO2/c17-13-3-1-8-6-18-7-12-9-2-4-14(19)16(20)10(9)5-11(13)15(8)12/h1-4,12,18-20H,5-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50117183 (2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinoline-...) Show SMILES Oc1ccc2[C@H]3CNCc4cccc(Cc2c1O)c34 Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86467 ((+/-)-2,3-Dimethyldinapsoline hydrobromide | CAS_0...) Show SMILES CC1N(C)C[C@H]2c3ccc(O)c(O)c3Cc3cccc1c23 Show InChI InChI=1S/C18H19NO2/c1-10-12-5-3-4-11-8-14-13(6-7-16(20)18(14)21)15(17(11)12)9-19(10)2/h3-7,10,15,20-21H,8-9H2,1-2H3/t10?,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86468 (4-fluoro-2,3,7,11b-tetrahydro-1H-pyrido[3,4,5-k]ac...) Show SMILES Oc1ccc2c3cncc4c(F)ccc([nH]c2c1O)c34 Show InChI InChI=1S/C15H9FN2O2/c16-10-2-3-11-13-8(5-17-6-9(10)13)7-1-4-12(19)15(20)14(7)18-11/h1-6,18-20H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86469 ((+/-)-11-nitrodinapsoline hydrobromide | CAS_0 | N...) Show SMILES Oc1cc(c2[C@@H]3CNCc4cccc(Cc2c1O)c34)N(=O)=O Show InChI InChI=1S/C16H14N2O4/c19-13-5-12(18(21)22)15-10(16(13)20)4-8-2-1-3-9-6-17-7-11(15)14(8)9/h1-3,5,11,17,19-20H,4,6-7H2/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86467 ((+/-)-2,3-Dimethyldinapsoline hydrobromide | CAS_0...) Show SMILES CC1N(C)C[C@H]2c3ccc(O)c(O)c3Cc3cccc1c23 Show InChI InChI=1S/C18H19NO2/c1-10-12-5-3-4-11-8-14-13(6-7-16(20)18(14)21)15(17(11)12)9-19(10)2/h3-7,10,15,20-21H,8-9H2,1-2H3/t10?,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by PDSP Ki Database									Bioorg Med Chem 12: 715-34 (2004) Article DOI: 10.1016/j.bmc.2003.11.015 BindingDB Entry DOI: 10.7270/Q2FF3QX2
					More data for this Ligand-Target Pair