Compile Data Set for Download or QSAR

Found 186 hits with Last Name = 'kafka' and Initial = 's'   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM84445 (Isoindoline, 12) Show SMILES OCC(CN1Cc2cccc(F)c2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25F2N3O2/c24-17-4-5-19-22(10-17)30-26-23(19)15-6-8-28(9-7-15)18(14-29)12-27-11-16-2-1-3-21(25)20(16)13-27/h1-5,10,15,18,29H,6-9,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84440 (Isoindoline, 7 | Isoindoline, 8 | Isoindoline, 9) Show SMILES OCC(CN1Cc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H26FN3O2/c24-19-5-6-21-22(11-19)29-25-23(21)16-7-9-27(10-8-16)20(15-28)14-26-12-17-3-1-2-4-18(17)13-26/h1-6,11,16,20,28H,7-10,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84451 (Isoindoline, 18 | Isoindoline, 19) Show SMILES COc1ccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1 Show InChI InChI=1S/C24H28FN3O3/c1-30-21-4-2-17-12-27(13-18(17)10-21)14-20(15-29)28-8-6-16(7-9-28)24-22-5-3-19(25)11-23(22)31-26-24/h2-5,10-11,16,20,29H,6-9,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84440 (Isoindoline, 7 | Isoindoline, 8 | Isoindoline, 9) Show SMILES OCC(CN1Cc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H26FN3O2/c24-19-5-6-21-22(11-19)29-25-23(21)16-7-9-27(10-8-16)20(15-28)14-26-12-17-3-1-2-4-18(17)13-26/h1-6,11,16,20,28H,7-10,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D4.2 in CHO cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84443 (Isoindoline, 10 | Isoindoline, 11) Show SMILES OCC(CN1Cc2ccc(F)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25F2N3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84446 (Isoindoline, 13) Show SMILES OCC(CN1Cc2ccc(Cl)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25ClFN3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84453 (Isoindoline, 20) Show SMILES COc1cccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc12 Show InChI InChI=1S/C24H28FN3O3/c1-30-22-4-2-3-17-12-27(14-21(17)22)13-19(15-29)28-9-7-16(8-10-28)24-20-6-5-18(25)11-23(20)31-26-24/h2-6,11,16,19,29H,7-10,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84459 (Isoindoline, 26) Show SMILES OCC(CN1CCc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C24H28FN3O2/c25-20-5-6-22-23(13-20)30-26-24(22)18-8-11-28(12-9-18)21(16-29)15-27-10-7-17-3-1-2-4-19(17)14-27/h1-6,13,18,21,29H,7-12,14-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84449 (Isoindoline, 16) Show SMILES Cc1cccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc12 Show InChI InChI=1S/C24H28FN3O2/c1-16-3-2-4-18-12-27(14-22(16)18)13-20(15-29)28-9-7-17(8-10-28)24-21-6-5-19(25)11-23(21)30-26-24/h2-6,11,17,20,29H,7-10,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-HT2A receptor in BEK cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50053691 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12 Show InChI InChI=1S/C24H32FN3OS2/c1-18-28(23(29)24(31-18)8-2-3-9-24)11-5-4-10-26-12-14-27(15-13-26)21-17-30-22-16-19(25)6-7-20(21)22/h6-7,16-18H,2-5,8-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-HT2A receptor in BEK cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM84456 (Isoindoline, 23) Show SMILES OCC(CN1Cc2ccccc2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H24FN3O3/c24-17-5-6-20-21(11-17)30-25-22(20)15-7-9-26(10-8-15)18(14-28)13-27-12-16-3-1-2-4-19(16)23(27)29/h1-6,11,15,18,28H,7-10,12-14H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84448 (Isoindoline, 15) Show SMILES Cc1ccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1 Show InChI InChI=1S/C24H28FN3O2/c1-16-2-3-18-12-27(13-19(18)10-16)14-21(15-29)28-8-6-17(7-9-28)24-22-5-4-20(25)11-23(22)30-26-24/h2-5,10-11,17,21,29H,6-9,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12 Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D4.2 in CHO cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| 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/h2-7,12,20H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-HT2A receptor in BEK cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84456 (Isoindoline, 23) Show SMILES OCC(CN1Cc2ccccc2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H24FN3O3/c24-17-5-6-20-21(11-17)30-25-22(20)15-7-9-26(10-8-15)18(14-28)13-27-12-16-3-1-2-4-19(16)23(27)29/h1-6,11,15,18,28H,7-10,12-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12 Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-HT2A receptor in BEK cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| 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/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D4.2 in CHO cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM84446 (Isoindoline, 13) Show SMILES OCC(CN1Cc2ccc(Cl)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25ClFN3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM84449 (Isoindoline, 16) Show SMILES Cc1cccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc12 Show InChI InChI=1S/C24H28FN3O2/c1-16-3-2-4-18-12-27(14-22(16)18)13-20(15-29)28-9-7-17(8-10-28)24-21-6-5-19(25)11-23(21)30-26-24/h2-6,11,17,20,29H,7-10,12-15H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM84453 (Isoindoline, 20) Show SMILES COc1cccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc12 Show InChI InChI=1S/C24H28FN3O3/c1-30-22-4-2-3-17-12-27(14-21(17)22)13-19(15-29)28-9-7-16(8-10-28)24-20-6-5-18(25)11-23(20)31-26-24/h2-6,11,16,19,29H,7-10,12-15H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM84459 (Isoindoline, 26) Show SMILES OCC(CN1CCc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C24H28FN3O2/c25-20-5-6-22-23(13-20)30-26-24(22)18-8-11-28(12-9-18)21(16-29)15-27-10-7-17-3-1-2-4-19(17)14-27/h1-6,13,18,21,29H,7-12,14-16H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84450 (Isoindoline, 17) Show SMILES OCC(CN1Cc2ccc(cc2C1)C(F)(F)F)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C24H25F4N3O2/c25-19-3-4-21-22(10-19)33-29-23(21)15-5-7-31(8-6-15)20(14-32)13-30-11-16-1-2-18(24(26,27)28)9-17(16)12-30/h1-4,9-10,15,20,32H,5-8,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM84451 (Isoindoline, 18 | Isoindoline, 19) Show SMILES COc1ccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1 Show InChI InChI=1S/C24H28FN3O3/c1-30-21-4-2-17-12-27(13-18(17)10-21)14-20(15-29)28-8-6-16(7-9-28)24-22-5-3-19(25)11-23(22)31-26-24/h2-5,10-11,16,20,29H,6-9,12-15H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84447 (Isoindoline, 14) Show SMILES OCC(CN1Cc2cc(Cl)c(Cl)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H24Cl2FN3O2/c24-20-7-15-10-28(11-16(15)8-21(20)25)12-18(13-30)29-5-3-14(4-6-29)23-19-2-1-17(26)9-22(19)31-27-23/h1-2,7-9,14,18,30H,3-6,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84457 (Isoindoline, 24) Show SMILES OCC(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12 |r| Show InChI InChI=1S/C23H28FN3O4/c24-15-5-6-19-20(11-15)31-25-21(19)14-7-9-26(10-8-14)16(13-28)12-27-22(29)17-3-1-2-4-18(17)23(27)30/h5-6,11,14,16-18,28H,1-4,7-10,12-13H2/t16?,17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM84450 (Isoindoline, 17) Show SMILES OCC(CN1Cc2ccc(cc2C1)C(F)(F)F)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C24H25F4N3O2/c25-19-3-4-21-22(10-19)33-29-23(21)15-5-7-31(8-6-15)20(14-32)13-30-11-16-1-2-18(24(26,27)28)9-17(16)12-30/h1-4,9-10,15,20,32H,5-8,11-14H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D4.2 in CHO cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84440 (Isoindoline, 7 | Isoindoline, 8 | Isoindoline, 9) Show SMILES OCC(CN1Cc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H26FN3O2/c24-19-5-6-21-22(11-19)29-25-23(21)16-7-9-27(10-8-16)20(15-28)14-26-12-17-3-1-2-4-18(17)13-26/h1-6,11,16,20,28H,7-10,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84443 (Isoindoline, 10 | Isoindoline, 11) Show SMILES OCC(CN1Cc2ccc(F)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25F2N3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM84440 (Isoindoline, 7 | Isoindoline, 8 | Isoindoline, 9) Show SMILES OCC(CN1Cc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H26FN3O2/c24-19-5-6-21-22(11-19)29-25-23(21)16-7-9-27(10-8-16)20(15-28)14-26-12-17-3-1-2-4-18(17)13-26/h1-6,11,16,20,28H,7-10,12-15H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM84440 (Isoindoline, 7 | Isoindoline, 8 | Isoindoline, 9) Show SMILES OCC(CN1Cc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H26FN3O2/c24-19-5-6-21-22(11-19)29-25-23(21)16-7-9-27(10-8-16)20(15-28)14-26-12-17-3-1-2-4-18(17)13-26/h1-6,11,16,20,28H,7-10,12-15H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	54.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84445 (Isoindoline, 12) Show SMILES OCC(CN1Cc2cccc(F)c2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25F2N3O2/c24-17-4-5-19-22(10-17)30-26-23(19)15-6-8-28(9-7-15)18(14-29)12-27-11-16-2-1-3-21(25)20(16)13-27/h1-5,10,15,18,29H,6-9,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	55.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM84443 (Isoindoline, 10 | Isoindoline, 11) Show SMILES OCC(CN1Cc2ccc(F)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25F2N3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	92.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84443 (Isoindoline, 10 | Isoindoline, 11) Show SMILES OCC(CN1Cc2ccc(F)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25F2N3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human 5-HT2A receptor in BEK cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50053691 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) Show SMILES CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12 Show InChI InChI=1S/C24H32FN3OS2/c1-18-28(23(29)24(31-18)8-2-3-9-24)11-5-4-10-26-12-14-27(15-13-26)21-17-30-22-16-19(25)6-7-20(21)22/h6-7,16-18H,2-5,8-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D4.2 in CHO cells				J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84459 (Isoindoline, 26) Show SMILES OCC(CN1CCc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C24H28FN3O2/c25-20-5-6-22-23(13-20)30-26-24(22)18-8-11-28(12-9-18)21(16-29)15-27-10-7-17-3-1-2-4-19(17)14-27/h1-6,13,18,21,29H,7-12,14-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84446 (Isoindoline, 13) Show SMILES OCC(CN1Cc2ccc(Cl)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25ClFN3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84451 (Isoindoline, 18 | Isoindoline, 19) Show SMILES COc1ccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1 Show InChI InChI=1S/C24H28FN3O3/c1-30-21-4-2-17-12-27(13-18(17)10-21)14-20(15-29)28-8-6-16(7-9-28)24-22-5-3-19(25)11-23(22)31-26-24/h2-5,10-11,16,20,29H,6-9,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84440 (Isoindoline, 7 | Isoindoline, 8 | Isoindoline, 9) Show SMILES OCC(CN1Cc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H26FN3O2/c24-19-5-6-21-22(11-19)29-25-23(21)16-7-9-27(10-8-16)20(15-28)14-26-12-17-3-1-2-4-18(17)13-26/h1-6,11,16,20,28H,7-10,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84449 (Isoindoline, 16) Show SMILES Cc1cccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc12 Show InChI InChI=1S/C24H28FN3O2/c1-16-3-2-4-18-12-27(14-22(16)18)13-20(15-29)28-9-7-17(8-10-28)24-21-6-5-19(25)11-23(21)30-26-24/h2-6,11,17,20,29H,7-10,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84448 (Isoindoline, 15) Show SMILES Cc1ccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1 Show InChI InChI=1S/C24H28FN3O2/c1-16-2-3-18-12-27(13-19(18)10-16)14-21(15-29)28-8-6-17(7-9-28)24-22-5-4-20(25)11-23(22)30-26-24/h2-5,10-11,17,21,29H,6-9,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84453 (Isoindoline, 20) Show SMILES COc1cccc2CN(CC(CO)N3CCC(CC3)c3noc4cc(F)ccc34)Cc12 Show InChI InChI=1S/C24H28FN3O3/c1-30-22-4-2-3-17-12-27(14-21(17)22)13-19(15-29)28-9-7-16(8-10-28)24-20-6-5-18(25)11-23(20)31-26-24/h2-6,11,16,19,29H,7-10,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM84440 (Isoindoline, 7 | Isoindoline, 8 | Isoindoline, 9) Show SMILES OCC(CN1Cc2ccccc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H26FN3O2/c24-19-5-6-21-22(11-19)29-25-23(21)16-7-9-27(10-8-16)20(15-28)14-26-12-17-3-1-2-4-18(17)13-26/h1-6,11,16,20,28H,7-10,12-15H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM84445 (Isoindoline, 12) Show SMILES OCC(CN1Cc2cccc(F)c2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25F2N3O2/c24-17-4-5-19-22(10-17)30-26-23(19)15-6-8-28(9-7-15)18(14-29)12-27-11-16-2-1-3-21(25)20(16)13-27/h1-5,10,15,18,29H,6-9,11-14H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	232	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84443 (Isoindoline, 10 | Isoindoline, 11) Show SMILES OCC(CN1Cc2ccc(F)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H25F2N3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84447 (Isoindoline, 14) Show SMILES OCC(CN1Cc2cc(Cl)c(Cl)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H24Cl2FN3O2/c24-20-7-15-10-28(11-16(15)8-21(20)25)12-18(13-30)29-5-3-14(4-6-29)23-19-2-1-17(26)9-22(19)31-27-23/h1-2,7-9,14,18,30H,3-6,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM84456 (Isoindoline, 23) Show SMILES OCC(CN1Cc2ccccc2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H24FN3O3/c24-17-5-6-20-21(11-17)30-25-22(20)15-7-9-26(10-8-15)18(14-28)13-27-12-16-3-1-2-4-19(16)23(27)29/h1-6,11,15,18,28H,7-10,12-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	341	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair

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