Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'venhuis' and Initial = 'bj'   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.339	-54.1	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22542 (4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...) Show SMILES C(C1CCNCC1)c1cnc[nH]1 Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.407	-53.6	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22548 (2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4,6-trimeth...) Show SMILES CC1CC(C)(C)N=C(O1)c1cccc(Cc2cnc[nH]2)c1 |c:6| Show InChI InChI=1S/C17H21N3O/c1-12-9-17(2,3)20-16(21-12)14-6-4-5-13(7-14)8-15-10-18-11-19-15/h4-7,10-12H,8-9H2,1-3H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-51.4	n/a	n/a	2	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22538 (4-Benzyl-1H-imidazole derivative, 19 | 4-{[3-(2-ph...) Show SMILES C(c1cnc[nH]1)c1cccc(c1)C#Cc1ccccc1 Show InChI InChI=1S/C18H14N2/c1-2-5-15(6-3-1)9-10-16-7-4-8-17(11-16)12-18-13-19-14-20-18/h1-8,11,13-14H,12H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50123627 ((S)-6-Dipropylamino-5,6,7,8-tetrahydro-naphthalene...) Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H25NO2/c1-3-9-17(10-4-2)13-6-7-14-12(11-13)5-8-15(18)16(14)19/h5,8,13,18-19H,3-4,6-7,9-11H2,1-2H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Binding affinity of compound for Dopamine receptor D2 using [3H]-N-0437				J Med Chem 46: 584-90 (2003) Article DOI: 10.1021/jm020990u BindingDB Entry DOI: 10.7270/Q2H41QS1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026553 ((+)-6-Dipropylamino-5,6,7,8-tetrahydro-naphthalene...) Show SMILES CCCN(CCC)C1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H25NO2/c1-3-9-17(10-4-2)13-6-7-14-12(11-13)5-8-15(18)16(14)19/h5,8,13,18-19H,3-4,6-7,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards Dopamine receptor D2				J Med Chem 46: 4136-40 (2003) Article DOI: 10.1021/jm0307786 BindingDB Entry DOI: 10.7270/Q2M61JP7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22540 (4-Benzyl-1H-imidazole derivative, 21 | 4-{[3-(pent...) Show SMILES CCCC#Cc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C15H16N2/c1-2-3-4-6-13-7-5-8-14(9-13)10-15-11-16-12-17-15/h5,7-9,11-12H,2-3,10H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (BOVINE)	BDBM50123627 ((S)-6-Dipropylamino-5,6,7,8-tetrahydro-naphthalene...) Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H25NO2/c1-3-9-17(10-4-2)13-6-7-14-12(11-13)5-8-15(18)16(14)19/h5,8,13,18-19H,3-4,6-7,9-11H2,1-2H3/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390				J Med Chem 46: 584-90 (2003) Article DOI: 10.1021/jm020990u BindingDB Entry DOI: 10.7270/Q2H41QS1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22529 (2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-...) Show SMILES CC1(C)COC(=N1)c1cccc(Cc2cnc[nH]2)c1 |c:5| Show InChI InChI=1S/C15H17N3O/c1-15(2)9-19-14(18-15)12-5-3-4-11(6-12)7-13-8-16-10-17-13/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	-47.9	n/a	n/a	16	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22537 (4-Benzyl-1H-imidazole derivative, 18 | 4-{[3-(3,3-...) Show SMILES CC(C)(C)C#Cc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C16H18N2/c1-16(2,3)8-7-13-5-4-6-14(9-13)10-15-11-17-12-18-15/h4-6,9,11-12H,10H2,1-3H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	-47.9	n/a	n/a	8	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22537 (4-Benzyl-1H-imidazole derivative, 18 | 4-{[3-(3,3-...) Show SMILES CC(C)(C)C#Cc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C16H18N2/c1-16(2,3)8-7-13-5-4-6-14(9-13)10-15-11-17-12-18-15/h4-6,9,11-12H,10H2,1-3H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-46.9	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH4R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50123625 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C19H25NO2S/c1-2-10-20(11-9-16-4-3-12-23-16)15-6-7-17-14(13-15)5-8-18(21)19(17)22/h3-5,8,12,15,21-22H,2,6-7,9-11,13H2,1H3/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Binding affinity of compound for Dopamine receptor D2 using [3H]-N-0437				J Med Chem 46: 584-90 (2003) Article DOI: 10.1021/jm020990u BindingDB Entry DOI: 10.7270/Q2H41QS1
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22536 (1-[3-(1H-imidazol-4-ylmethyl)phenyl]-3,3-dimethylb...) Show SMILES CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C16H20N2O/c1-16(2,3)9-15(19)13-6-4-5-12(7-13)8-14-10-17-11-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	-46.9	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH4R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22548 (2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4,6-trimeth...) Show SMILES CC1CC(C)(C)N=C(O1)c1cccc(Cc2cnc[nH]2)c1 |c:6| Show InChI InChI=1S/C17H21N3O/c1-12-9-17(2,3)20-16(21-12)14-6-4-5-13(7-14)8-15-10-18-11-19-15/h4-7,10-12H,8-9H2,1-3H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-46.2	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH4R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Binding affinity of compound for Dopamine receptor D2 using [3H]-N-0437				J Med Chem 46: 584-90 (2003) Article DOI: 10.1021/jm020990u BindingDB Entry DOI: 10.7270/Q2H41QS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Homo sapiens (Human))	BDBM22536 (1-[3-(1H-imidazol-4-ylmethyl)phenyl]-3,3-dimethylb...) Show SMILES CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C16H20N2O/c1-16(2,3)9-15(19)13-6-4-5-12(7-13)8-14-10-17-11-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	-42.8	n/a	n/a	79	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22533 (4-Benzyl-1H-imidazole derivative, 14 | 4-[(3-pheny...) Show SMILES C(c1cnc[nH]1)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C16H14N2/c1-2-6-14(7-3-1)15-8-4-5-13(9-15)10-16-11-17-12-18-16/h1-9,11-12H,10H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	33	-42.7	n/a	n/a	200	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22549 (2-[3-(1H-imidazol-4-ylmethyl)phenyl]-3-oxa-1-azasp...) Show SMILES C(c1cnc[nH]1)c1cccc(c1)C1=NC2(CCCC2)CO1 |t:14| Show InChI InChI=1S/C17H19N3O/c1-2-7-17(6-1)11-21-16(20-17)14-5-3-4-13(8-14)9-15-10-18-12-19-15/h3-5,8,10,12H,1-2,6-7,9,11H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	-42.2	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22534 (2-[3-(1H-imidazol-4-ylmethyl)phenyl]pyridine | 4-B...) Show SMILES C(c1cnc[nH]1)c1cccc(c1)-c1ccccn1 Show InChI InChI=1S/C15H13N3/c1-2-7-17-15(6-1)13-5-3-4-12(8-13)9-14-10-16-11-18-14/h1-8,10-11H,9H2,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	-42.2	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22550 (2-[3-(1H-imidazol-4-ylmethyl)phenyl]-1-oxa-3-azasp...) Show SMILES C(c1cnc[nH]1)c1cccc(c1)C1=NCC2(CCCCC2)O1 |t:14| Show InChI InChI=1S/C18H21N3O/c1-2-7-18(8-3-1)12-20-17(22-18)15-6-4-5-14(9-15)10-16-11-19-13-21-16/h4-6,9,11,13H,1-3,7-8,10,12H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	-41.4	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22552 ((4R)-4-benzyl-2-[3-(1H-imidazol-4-ylmethyl)phenyl]...) Show SMILES C([C@@H]1COC(=N1)c1cccc(Cc2cnc[nH]2)c1)c1ccccc1 |r,c:4| Show InChI InChI=1S/C20H19N3O/c1-2-5-15(6-3-1)10-19-13-24-20(23-19)17-8-4-7-16(9-17)11-18-12-21-14-22-18/h1-9,12,14,19H,10-11,13H2,(H,21,22)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	89	-40.2	n/a	n/a	79	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (BOVINE)	BDBM50123625 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C19H25NO2S/c1-2-10-20(11-9-16-4-3-12-23-16)15-6-7-17-14(13-15)5-8-18(21)19(17)22/h3-5,8,12,15,21-22H,2,6-7,9-11,13H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390				J Med Chem 46: 584-90 (2003) Article DOI: 10.1021/jm020990u BindingDB Entry DOI: 10.7270/Q2H41QS1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22531 (3-(1H-imidazol-4-ylmethyl)benzonitrile | 4-Benzyl-...) Show SMILES N#Cc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C11H9N3/c12-6-10-3-1-2-9(4-10)5-11-7-13-8-14-11/h1-4,7-8H,5H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	155	-38.9	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22532 (4-Benzyl-1H-imidazole derivative, 13 | 4-benzyl-1H...) Show SMILES C(c1cnc[nH]1)c1ccccc1 Show InChI InChI=1S/C10H10N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-5,7-8H,6H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	162	-38.8	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50026553 ((+)-6-Dipropylamino-5,6,7,8-tetrahydro-naphthalene...) Show SMILES CCCN(CCC)C1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C16H25NO2/c1-3-9-17(10-4-2)13-6-7-14-12(11-13)5-8-15(18)16(14)19/h5,8,13,18-19H,3-4,6-7,9-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards Dopamine receptor D1				J Med Chem 46: 4136-40 (2003) Article DOI: 10.1021/jm0307786 BindingDB Entry DOI: 10.7270/Q2M61JP7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22547 (4-(1H-imidazol-4-ylmethyl)aniline | 4-Benzyl-1H-im...) Show SMILES Nc1ccc(Cc2cnc[nH]2)cc1 Show InChI InChI=1S/C10H11N3/c11-9-3-1-8(2-4-9)5-10-6-12-7-13-10/h1-4,6-7H,5,11H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	257	-37.6	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22545 (4-Benzyl-1H-imidazole derivative, 23 | 4-[(4-bromo...) Show SMILES Brc1ccc(Cc2cnc[nH]2)cc1 Show InChI InChI=1S/C10H9BrN2/c11-9-3-1-8(2-4-9)5-10-6-12-7-13-10/h1-4,6-7H,5H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	417	-36.4	n/a	n/a	631	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22535 (4-Benzyl-1H-imidazole derivative, 16 | 4-[3-(1H-im...) Show SMILES C(c1cnc[nH]1)c1cccc(c1)-c1ccncc1 Show InChI InChI=1S/C15H13N3/c1-2-12(9-15-10-17-11-18-15)8-14(3-1)13-4-6-16-7-5-13/h1-8,10-11H,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	427	-36.4	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (BOVINE)	BDBM50123626 ((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...) Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1 Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Centre for Pharmacy Curated by ChEMBL					Assay Description Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390				J Med Chem 46: 584-90 (2003) Article DOI: 10.1021/jm020990u BindingDB Entry DOI: 10.7270/Q2H41QS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Homo sapiens (Human))	BDBM22546 (4-Benzyl-1H-imidazole derivative, 24 | 4-{[4-(3,3-...) Show SMILES CC(C)(C)C#Cc1ccc(Cc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2/c1-16(2,3)9-8-13-4-6-14(7-5-13)10-15-11-17-12-18-15/h4-7,11-12H,10H2,1-3H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	537	-35.8	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22551 (4-(cyclohexylmethyl)-2-[3-(1H-imidazol-4-ylmethyl)...) Show SMILES C(C1COC(=N1)c1cccc(Cc2cnc[nH]2)c1)C1CCCCC1 |c:4| Show InChI InChI=1S/C20H25N3O/c1-2-5-15(6-3-1)10-19-13-24-20(23-19)17-8-4-7-16(9-17)11-18-12-21-14-22-18/h4,7-9,12,14-15,19H,1-3,5-6,10-11,13H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	708	-35.1	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22544 (4-(1H-imidazol-4-ylmethyl)benzonitrile | 4-Benzyl-...) Show SMILES N#Cc1ccc(Cc2cnc[nH]2)cc1 Show InChI InChI=1S/C11H9N3/c12-6-10-3-1-9(2-4-10)5-11-7-13-8-14-11/h1-4,7-8H,5H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	813	-34.8	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22539 (4-({3-[2-(naphthalen-1-yl)ethynyl]phenyl}methyl)-1...) Show SMILES C(c1cnc[nH]1)c1cccc(c1)C#Cc1cccc2ccccc12 Show InChI InChI=1S/C22H16N2/c1-2-10-22-19(7-1)8-4-9-20(22)12-11-17-5-3-6-18(13-17)14-21-15-23-16-24-21/h1-10,13,15-16H,14H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.74E+3	-32.9	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50133184 (6-Dipropylamino-3,4,5,6,7,8-hexahydro-2H-naphthale...) Show SMILES CCCN(CCC)C1CCC2=C(CCCC2C1)N=O |t:10| Show InChI InChI=1S/C16H28N2O/c1-3-10-18(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)17-19/h13-14H,3-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards Dopamine receptor D2				J Med Chem 46: 4136-40 (2003) Article DOI: 10.1021/jm0307786 BindingDB Entry DOI: 10.7270/Q2M61JP7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50133185 (6-Dipropylamino-3,4,5,6,7,8-hexahydro-2H-naphthale...) Show SMILES CCCN(CCC)C1CCC2=C(CCC\C2=N/OC)C1 |t:10| Show InChI InChI=1S/C17H30N2O/c1-4-11-19(12-5-2)15-9-10-16-14(13-15)7-6-8-17(16)18-20-3/h15H,4-13H2,1-3H3/b18-17+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards Dopamine receptor D2				J Med Chem 46: 4136-40 (2003) Article DOI: 10.1021/jm0307786 BindingDB Entry DOI: 10.7270/Q2M61JP7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22543 (2-[4-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-...) Show SMILES CC1(C)COC(=N1)c1ccc(Cc2cnc[nH]2)cc1 |c:5| Show InChI InChI=1S/C15H17N3O/c1-15(2)9-19-14(18-15)12-5-3-11(4-6-12)7-13-8-16-10-17-13/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.51E+3	-32.0	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22553 (2-[3-(1H-imidazol-4-ylmethyl)phenyl]-5,5-dimethyl-...) Show SMILES CC1(C)COC(=NC1)c1cccc(Cc2cnc[nH]2)c1 |c:5| Show InChI InChI=1S/C16H19N3O/c1-16(2)9-18-15(20-10-16)13-5-3-4-12(6-13)7-14-8-17-11-19-14/h3-6,8,11H,7,9-10H2,1-2H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.51E+3	-32.0	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50133186 (CHEMBL132626 | Dipropyl-(5,6,7,8-tetrahydro-naphth...) Show SMILES CCCN(CCC)c1ccc2CCCCc2c1 Show InChI InChI=1S/C16H25N/c1-3-11-17(12-4-2)16-10-9-14-7-5-6-8-15(14)13-16/h9-10,13H,3-8,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
University Center for Pharmacy Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards Dopamine receptor D2				J Med Chem 46: 4136-40 (2003) Article DOI: 10.1021/jm0307786 BindingDB Entry DOI: 10.7270/Q2M61JP7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50010594 (2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
D(2) 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	DrugBank Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D2				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM22871 (13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor from rat frontal cortex using [3H]-ketanserin as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50010594 (2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Inhibition of binding of 1.0 nM [3H]-pirenzepine to cloned human Muscarinic acetylcholine receptor M1 expressed in membranes from CHO-K1 cells				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					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	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards human D4.2 receptor				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 of rat corpus striatum using [3H]-spiperone as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50078061 (CHEMBL73589 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H18F3N3O3S2/c1-24-8-10-25(11-9-24)18-14-12-13(28-30(26,27)19(20,21)22)6-7-16(14)29-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D3				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (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	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Inhibition of binding of 1.0 nM [3H]-pirenzepine to cloned human Muscarinic acetylcholine receptor M1 expressed in membranes from CHO-K1 cells				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
D(3) 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D3				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50010594 (2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards D1 CNS receptor of rat corpus striatum using [3H]-SCH-23,390 as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	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 KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50061558 (2-Methoxy-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[...) Show SMILES COc1ccc2Nc3ccccc3N=C(N3CCN(C)CC3)c2c1 |t:14| Show InChI InChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)19-15-13-14(24-2)7-8-16(15)20-17-5-3-4-6-18(17)21-19/h3-8,13,20H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor from rat frontal cortex using [3H]-ketanserin as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair

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