Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50036383   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(2) dopamine receptor (Cercopithecus aethiops)	BDBM50048233 (1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmet...) Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50048240 (1-(2-Methoxy-phenyl)-4-(1-methyl-5-phenyl-1H-pyrro...) Show SMILES COc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)n2C)CC1 Show InChI InChI=1S/C23H27N3O/c1-24-20(12-13-21(24)19-8-4-3-5-9-19)18-25-14-16-26(17-15-25)22-10-6-7-11-23(22)27-2/h3-13H,14-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 of rat using [3H]spiperone				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50048233 (1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmet...) Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from human Dopamine receptor D4				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50048230 (1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-4-pyridin-2-yl-p...) Show SMILES C(N1CCN(CC1)c1ccccn1)c1ccn(c1)-c1ccccc1 Show InChI InChI=1S/C20H22N4/c1-2-6-19(7-3-1)24-11-9-18(17-24)16-22-12-14-23(15-13-22)20-8-4-5-10-21-20/h1-11,17H,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from human Dopamine receptor D4				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Chlorocebus aethiops)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african moonkey Dopamine receptor D3				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50048237 (4-Phenyl-1-(1-phenyl-1H-pyrrol-3-ylmethyl)-1,2,3,6...) Show SMILES C(N1CCC(=CC1)c1ccccc1)c1ccn(c1)-c1ccccc1 |c:4| Show InChI InChI=1S/C22H22N2/c1-3-7-20(8-4-1)21-12-14-23(15-13-21)17-19-11-16-24(18-19)22-9-5-2-6-10-22/h1-12,16,18H,13-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from human Dopamine receptor D4				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50048234 (1-Phenyl-4-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperaz...) Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccn(c1)-c1ccccc1 Show InChI InChI=1S/C21H23N3/c1-3-7-20(8-4-1)23-15-13-22(14-16-23)17-19-11-12-24(18-19)21-9-5-2-6-10-21/h1-12,18H,13-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from human Dopamine receptor D4				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Cercopithecus aethiops)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Cercopithecus aethiops)	BDBM50048237 (4-Phenyl-1-(1-phenyl-1H-pyrrol-3-ylmethyl)-1,2,3,6...) Show SMILES C(N1CCC(=CC1)c1ccccc1)c1ccn(c1)-c1ccccc1 |c:4| Show InChI InChI=1S/C22H22N2/c1-3-7-20(8-4-1)21-12-14-23(15-13-21)17-19-11-16-24(18-19)22-9-5-2-6-10-22/h1-12,16,18H,13-15,17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					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	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from human Dopamine receptor D4				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50048235 (4-Phenyl-1-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperid...) Show SMILES C(N1CCC(CC1)c1ccccc1)c1ccn(c1)-c1ccccc1 Show InChI InChI=1S/C22H24N2/c1-3-7-20(8-4-1)21-12-14-23(15-13-21)17-19-11-16-24(18-19)22-9-5-2-6-10-22/h1-11,16,18,21H,12-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from human Dopamine receptor D4				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Chlorocebus aethiops)	BDBM50048233 (1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmet...) Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african moonkey Dopamine receptor D3				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Cercopithecus aethiops)	BDBM50048234 (1-Phenyl-4-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperaz...) Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccn(c1)-c1ccccc1 Show InChI InChI=1S/C21H23N3/c1-3-7-20(8-4-1)23-15-13-22(14-16-23)17-19-11-12-24(18-19)21-9-5-2-6-10-21/h1-12,18H,13-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Chlorocebus aethiops)	BDBM50048237 (4-Phenyl-1-(1-phenyl-1H-pyrrol-3-ylmethyl)-1,2,3,6...) Show SMILES C(N1CCC(=CC1)c1ccccc1)c1ccn(c1)-c1ccccc1 |c:4| Show InChI InChI=1S/C22H22N2/c1-3-7-20(8-4-1)21-12-14-23(15-13-21)17-19-11-16-24(18-19)22-9-5-2-6-10-22/h1-12,16,18H,13-15,17H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african moonkey Dopamine receptor D3				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Cercopithecus aethiops)	BDBM50048235 (4-Phenyl-1-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperid...) Show SMILES C(N1CCC(CC1)c1ccccc1)c1ccn(c1)-c1ccccc1 Show InChI InChI=1S/C22H24N2/c1-3-7-20(8-4-1)21-12-14-23(15-13-21)17-19-11-16-24(18-19)22-9-5-2-6-10-22/h1-11,16,18,21H,12-15,17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Cercopithecus aethiops)	BDBM50048230 (1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-4-pyridin-2-yl-p...) Show SMILES C(N1CCN(CC1)c1ccccn1)c1ccn(c1)-c1ccccc1 Show InChI InChI=1S/C20H22N4/c1-2-6-19(7-3-1)24-11-9-18(17-24)16-22-12-14-23(15-13-22)20-8-4-5-10-21-20/h1-11,17H,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Cercopithecus aethiops)	BDBM50048239 (1-Phenyl-8-(1-phenyl-1H-pyrrol-3-ylmethyl)-1,3,8-t...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccn(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C24H26N4O/c29-23-24(28(19-25-23)22-9-5-2-6-10-22)12-15-26(16-13-24)17-20-11-14-27(18-20)21-7-3-1-4-8-21/h1-11,14,18H,12-13,15-17,19H2,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Chlorocebus aethiops)	BDBM50048234 (1-Phenyl-4-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperaz...) Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccn(c1)-c1ccccc1 Show InChI InChI=1S/C21H23N3/c1-3-7-20(8-4-1)23-15-13-22(14-16-23)17-19-11-12-24(18-19)21-9-5-2-6-10-21/h1-12,18H,13-17H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african moonkey Dopamine receptor D3				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Chlorocebus aethiops)	BDBM50048235 (4-Phenyl-1-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperid...) Show SMILES C(N1CCC(CC1)c1ccccc1)c1ccn(c1)-c1ccccc1 Show InChI InChI=1S/C22H24N2/c1-3-7-20(8-4-1)21-12-14-23(15-13-21)17-19-11-16-24(18-19)22-9-5-2-6-10-22/h1-11,16,18,21H,12-15,17H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african moonkey Dopamine receptor D3				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					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 PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from human Dopamine receptor D4				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Chlorocebus aethiops)	BDBM50048239 (1-Phenyl-8-(1-phenyl-1H-pyrrol-3-ylmethyl)-1,3,8-t...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccn(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C24H26N4O/c29-23-24(28(19-25-23)22-9-5-2-6-10-22)12-15-26(16-13-24)17-20-11-14-27(18-20)21-7-3-1-4-8-21/h1-11,14,18H,12-13,15-17,19H2,(H,25,29)	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african moonkey Dopamine receptor D3				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Chlorocebus aethiops)	BDBM50048230 (1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-4-pyridin-2-yl-p...) Show SMILES C(N1CCN(CC1)c1ccccn1)c1ccn(c1)-c1ccccc1 Show InChI InChI=1S/C20H22N4/c1-2-6-19(7-3-1)24-11-9-18(17-24)16-22-12-14-23(15-13-22)20-8-4-5-10-21-20/h1-11,17H,12-16H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african moonkey Dopamine receptor D3				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Cercopithecus aethiops)	BDBM50048238 (4-(4-Chloro-phenyl)-1-(1-phenyl-1H-pyrrol-3-ylmeth...) Show SMILES OC1(CCN(Cc2ccn(c2)-c2ccccc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN2O/c23-20-8-6-19(7-9-20)22(26)11-14-24(15-12-22)16-18-10-13-25(17-18)21-4-2-1-3-5-21/h1-10,13,17,26H,11-12,14-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Cercopithecus aethiops)	BDBM50048236 (1-[1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-piperidin-4-y...) Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccn(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H24N4O/c28-23-24-21-8-4-5-9-22(21)27(23)20-11-13-25(14-12-20)16-18-10-15-26(17-18)19-6-2-1-3-7-19/h1-10,15,17,20H,11-14,16H2,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50048239 (1-Phenyl-8-(1-phenyl-1H-pyrrol-3-ylmethyl)-1,3,8-t...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccn(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C24H26N4O/c29-23-24(28(19-25-23)22-9-5-2-6-10-22)12-15-26(16-13-24)17-20-11-14-27(18-20)21-7-3-1-4-8-21/h1-11,14,18H,12-13,15-17,19H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from human Dopamine receptor D4				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Cercopithecus aethiops)	BDBM50048232 (1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-4-(3-trifluorome...) Show SMILES OC1(CCN(Cc2ccn(c2)-c2ccccc2)CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H23F3N2O/c24-23(25,26)20-6-4-5-19(15-20)22(29)10-13-27(14-11-22)16-18-9-12-28(17-18)21-7-2-1-3-8-21/h1-9,12,15,17,29H,10-11,13-14,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	237	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Cercopithecus aethiops)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	254	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50048238 (4-(4-Chloro-phenyl)-1-(1-phenyl-1H-pyrrol-3-ylmeth...) Show SMILES OC1(CCN(Cc2ccn(c2)-c2ccccc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN2O/c23-20-8-6-19(7-9-20)22(26)11-14-24(15-12-22)16-18-10-13-25(17-18)21-4-2-1-3-5-21/h1-10,13,17,26H,11-12,14-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from human Dopamine receptor D4				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Chlorocebus aethiops)	BDBM50048236 (1-[1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-piperidin-4-y...) Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccn(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H24N4O/c28-23-24-21-8-4-5-9-22(21)27(23)20-11-13-25(14-12-20)16-18-10-15-26(17-18)19-6-2-1-3-7-19/h1-10,15,17,20H,11-14,16H2,(H,24,28)	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african moonkey Dopamine receptor D3				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Chlorocebus aethiops)	BDBM50048232 (1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-4-(3-trifluorome...) Show SMILES OC1(CCN(Cc2ccn(c2)-c2ccccc2)CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H23F3N2O/c24-23(25,26)20-6-4-5-19(15-20)22(29)10-13-27(14-11-22)16-18-9-12-28(17-18)21-7-2-1-3-8-21/h1-9,12,15,17,29H,10-11,13-14,16H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african moonkey Dopamine receptor D3				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Chlorocebus aethiops)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	466	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african moonkey Dopamine receptor D3				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Chlorocebus aethiops)	BDBM50048238 (4-(4-Chloro-phenyl)-1-(1-phenyl-1H-pyrrol-3-ylmeth...) Show SMILES OC1(CCN(Cc2ccn(c2)-c2ccccc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN2O/c23-20-8-6-19(7-9-20)22(26)11-14-24(15-12-22)16-18-10-13-25(17-18)21-4-2-1-3-5-21/h1-10,13,17,26H,11-12,14-16H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	477	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african moonkey Dopamine receptor D3				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50048232 (1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-4-(3-trifluorome...) Show SMILES OC1(CCN(Cc2ccn(c2)-c2ccccc2)CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H23F3N2O/c24-23(25,26)20-6-4-5-19(15-20)22(29)10-13-27(14-11-22)16-18-9-12-28(17-18)21-7-2-1-3-8-21/h1-9,12,15,17,29H,10-11,13-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	492	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from human Dopamine receptor D4				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50048236 (1-[1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-piperidin-4-y...) Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccn(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H24N4O/c28-23-24-21-8-4-5-9-22(21)27(23)20-11-13-25(14-12-20)16-18-10-15-26(17-18)19-6-2-1-3-7-19/h1-10,15,17,20H,11-14,16H2,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	646	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from human Dopamine receptor D4				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Cercopithecus aethiops)	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	873	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	3.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from human Dopamine receptor D4				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Chlorocebus aethiops)	BDBM50026045 ((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african moonkey Dopamine receptor D3				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair