Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50036141   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50037272 ((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14)12-16)11-15(13-20)21-19/h6,8,11,16,21H,3-5,7,9-10,12H2,1-2H3/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50016777 (((R)-8-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...) Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor in bovine hippocampal preparation using [3H]8-OH-DPAT				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50368641 (CHEMBL1744088) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r| Show InChI InChI=1S/C27H36N4O2/c1-4-11-30(12-5-6-13-31-25(32)16-27(2,3)17-26(31)33)21-9-7-19-8-10-24-23(22(19)15-21)14-20(18-28)29-24/h8,10,14,21,29H,4-7,9,11-13,15-17H2,1-3H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50368635 (CHEMBL1744035) Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r| Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14)12-16)11-15(13-20)21-19/h6,8,11,16,21H,3-5,7,9-10,12H2,1-2H3/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50368638 (CHEMBL1744037) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C27H38N4O3/c1-4-11-30(12-5-6-13-31-24(32)16-27(2,3)17-25(31)33)19-9-7-18-8-10-22-21(20(18)14-19)15-23(29-22)26(28)34/h8,10,15,19,29H,4-7,9,11-14,16-17H2,1-3H3,(H2,28,34)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50368637 (CHEMBL1744036) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C19H27N3O/c1-3-9-22(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21-17)19(20)23/h6,8,12,14,21H,3-5,7,9-11H2,1-2H3,(H2,20,23)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50368639 (CHEMBL1788190) Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C19H27N3O/c1-3-9-22(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21-17)19(20)23/h6,8,12,14,21H,3-5,7,9-11H2,1-2H3,(H2,20,23)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50368632 (CHEMBL1788192) Show SMILES CCCN(CC1CC1)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C20H27N3O/c1-2-9-23(12-13-3-4-13)15-7-5-14-6-8-18-17(16(14)10-15)11-19(22-18)20(21)24/h6,8,11,13,15,22H,2-5,7,9-10,12H2,1H3,(H2,21,24)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50368633 (CHEMBL1788324) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r| Show InChI InChI=1S/C27H36N4O2/c1-4-11-30(12-5-6-13-31-25(32)16-27(2,3)17-26(31)33)21-9-7-19-8-10-24-23(22(19)15-21)14-20(18-28)29-24/h8,10,14,21,29H,4-7,9,11-13,15-17H2,1-3H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50001859 ((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50368631 (CHEMBL1744038) Show SMILES CCCN(CC1CC1)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C20H27N3O/c1-2-9-23(12-13-3-4-13)15-7-5-14-6-8-18-17(16(14)10-15)11-19(22-18)20(21)24/h6,8,11,13,15,22H,2-5,7,9-10,12H2,1H3,(H2,21,24)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50368640 (CHEMBL1744089) Show SMILES CCCN[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C16H21N3O/c1-2-7-18-11-5-3-10-4-6-14-13(12(10)8-11)9-15(19-14)16(17)20/h4,6,9,11,18-19H,2-3,5,7-8H2,1H3,(H2,17,20)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001859 ((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50037272 ((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14)12-16)11-15(13-20)21-19/h6,8,11,16,21H,3-5,7,9-10,12H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50368638 (CHEMBL1744037) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C27H38N4O3/c1-4-11-30(12-5-6-13-31-24(32)16-27(2,3)17-25(31)33)19-9-7-18-8-10-22-21(20(18)14-19)15-23(29-22)26(28)34/h8,10,15,19,29H,4-7,9,11-14,16-17H2,1-3H3,(H2,28,34)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50368641 (CHEMBL1744088) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r| Show InChI InChI=1S/C27H36N4O2/c1-4-11-30(12-5-6-13-31-25(32)16-27(2,3)17-26(31)33)21-9-7-19-8-10-24-23(22(19)15-21)14-20(18-28)29-24/h8,10,14,21,29H,4-7,9,11-13,15-17H2,1-3H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50016777 (((R)-8-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...) Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50368636 (CHEMBL1788325) Show SMILES CCCN[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C16H21N3O/c1-2-7-18-11-5-3-10-4-6-14-13(12(10)8-11)9-15(19-14)16(17)20/h4,6,9,11,18-19H,2-3,5,7-8H2,1H3,(H2,17,20)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50368634 (CHEMBL1788191) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C27H38N4O3/c1-4-11-30(12-5-6-13-31-24(32)16-27(2,3)17-25(31)33)19-9-7-18-8-10-22-21(20(18)14-19)15-23(29-22)26(28)34/h8,10,15,19,29H,4-7,9,11-14,16-17H2,1-3H3,(H2,28,34)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50368637 (CHEMBL1744036) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C19H27N3O/c1-3-9-22(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21-17)19(20)23/h6,8,12,14,21H,3-5,7,9-11H2,1-2H3,(H2,20,23)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	215	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50368633 (CHEMBL1788324) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r| Show InChI InChI=1S/C27H36N4O2/c1-4-11-30(12-5-6-13-31-25(32)16-27(2,3)17-26(31)33)21-9-7-19-8-10-24-23(22(19)15-21)14-20(18-28)29-24/h8,10,14,21,29H,4-7,9,11-13,15-17H2,1-3H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>333	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50368632 (CHEMBL1788192) Show SMILES CCCN(CC1CC1)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C20H27N3O/c1-2-9-23(12-13-3-4-13)15-7-5-14-6-8-18-17(16(14)10-15)11-19(22-18)20(21)24/h6,8,11,13,15,22H,2-5,7,9-10,12H2,1H3,(H2,21,24)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	389	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50368640 (CHEMBL1744089) Show SMILES CCCN[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C16H21N3O/c1-2-7-18-11-5-3-10-4-6-14-13(12(10)8-11)9-15(19-14)16(17)20/h4,6,9,11,18-19H,2-3,5,7-8H2,1H3,(H2,17,20)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	857	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50368635 (CHEMBL1744035) Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r| Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14)12-16)11-15(13-20)21-19/h6,8,11,16,21H,3-5,7,9-10,12H2,1-2H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	896	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50368634 (CHEMBL1788191) Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C27H38N4O3/c1-4-11-30(12-5-6-13-31-24(32)16-27(2,3)17-25(31)33)19-9-7-18-8-10-22-21(20(18)14-19)15-23(29-22)26(28)34/h8,10,15,19,29H,4-7,9,11-14,16-17H2,1-3H3,(H2,28,34)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	914	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50368639 (CHEMBL1788190) Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C19H27N3O/c1-3-9-22(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21-17)19(20)23/h6,8,12,14,21H,3-5,7,9-11H2,1-2H3,(H2,20,23)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50368631 (CHEMBL1744038) Show SMILES CCCN(CC1CC1)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C20H27N3O/c1-2-9-23(12-13-3-4-13)15-7-5-14-6-8-18-17(16(14)10-15)11-19(22-18)20(21)24/h6,8,11,13,15,22H,2-5,7,9-10,12H2,1H3,(H2,21,24)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50368636 (CHEMBL1788325) Show SMILES CCCN[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r| Show InChI InChI=1S/C16H21N3O/c1-2-7-18-11-5-3-10-4-6-14-13(12(10)8-11)9-15(19-14)16(17)20/h4,6,9,11,18-19H,2-3,5,7-8H2,1H3,(H2,17,20)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells				J Med Chem 36: 2066-74 (1993) BindingDB Entry DOI: 10.7270/Q2HX1D9Z
					More data for this Ligand-Target Pair