Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'wagner' and Initial = 'n'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM81950 (CAS_130377 | NSC_130377 | Spectramide) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1 Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM81950 (CAS_130377 | NSC_130377 | Spectramide) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1 Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.215	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					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	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008735 ((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM81195 ((+/-)-2-Amino-6,7-dihydroxy-1,2,3,4-tetrahydronaph...) Show SMILES NC1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM11638 (CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...) Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM81195 ((+/-)-2-Amino-6,7-dihydroxy-1,2,3,4-tetrahydronaph...) Show SMILES NC1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	24.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124940 ((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4'-methyl-[1,4'...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCCCC1 Show InChI InChI=1S/C19H29N3O2/c1-15-7-12-22(24)16(2)17(15)18(23)20-13-8-19(3,9-14-20)21-10-5-4-6-11-21/h7,12H,4-6,8-11,13-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against CCR5 receptor in CHO cell membranes was determined using radio-ligand [125I]-RANTES binding assay				Bioorg Med Chem Lett 13: 705-8 (2003) BindingDB Entry DOI: 10.7270/Q26H4GRT
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM81950 (CAS_130377 | NSC_130377 | Spectramide) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1 Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124940 ((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4'-methyl-[1,4'...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCCCC1 Show InChI InChI=1S/C19H29N3O2/c1-15-7-12-22(24)16(2)17(15)18(23)20-13-8-19(3,9-14-20)21-10-5-4-6-11-21/h7,12H,4-6,8-11,13-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of the compound against CCR5 receptor in CHO cell membranes was determined using radio-ligand [125I]-RANTES binding assay				Bioorg Med Chem Lett 13: 705-8 (2003) BindingDB Entry DOI: 10.7270/Q26H4GRT
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124940 ((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4'-methyl-[1,4'...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCCCC1 Show InChI InChI=1S/C19H29N3O2/c1-15-7-12-22(24)16(2)17(15)18(23)20-13-8-19(3,9-14-20)21-10-5-4-6-11-21/h7,12H,4-6,8-11,13-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	97.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of the compound against CCR5 receptor in CHO cell membranes was determined using radio-ligand [125I]-RANTES binding assay				Bioorg Med Chem Lett 13: 705-8 (2003) BindingDB Entry DOI: 10.7270/Q26H4GRT
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124940 ((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4'-methyl-[1,4'...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCCCC1 Show InChI InChI=1S/C19H29N3O2/c1-15-7-12-22(24)16(2)17(15)18(23)20-13-8-19(3,9-14-20)21-10-5-4-6-11-21/h7,12H,4-6,8-11,13-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against CCR5 receptor in CHO cell membranes was determined using radio-ligand [125I]-RANTES binding assay				Bioorg Med Chem Lett 13: 705-8 (2003) BindingDB Entry DOI: 10.7270/Q26H4GRT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM81950 (CAS_130377 | NSC_130377 | Spectramide) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1 Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM82247 (8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM21395 (3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM81950 (CAS_130377 | NSC_130377 | Spectramide) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1 Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008735 ((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM81950 (CAS_130377 | NSC_130377 | Spectramide) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1 Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM81950 (CAS_130377 | NSC_130377 | Spectramide) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1 Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (RAT)	BDBM50016897 (2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...) Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM81950 (CAS_130377 | NSC_130377 | Spectramide) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1 Show InChI InChI=1S/C19H23ClIN3O2/c1-22-17-11-18(26-3)15(10-16(17)20)19(25)23-8-9-24(2)12-13-4-6-14(21)7-5-13/h4-7,10-11,22H,8-9,12H2,1-3H3,(H,23,25)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50120316 (CHEMBL2367887 | Triterpene Glycoside analogue) Show SMILES CO[C@H]1[C@H](O)[C@@H](CO)OC(O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3CO[C@@H](O[C@H]4CC[C@@]5(C)C(CCC6C5=C[C@H](O)C57C(CC[C@@]65C)[C@](C)(CCCC(C)C)OC7=O)C4(C)C)[C@H](O[C@@H]4O[C@H](C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)C(OC6O[C@H](CO)[C@@H](O)C(OC)[C@H]6O)[C@H]5O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H]2O)[C@@H]1O |t:35| Show InChI InChI=1S/C67H110O32/c1-26(2)12-11-17-66(8)36-15-19-65(7)28-13-14-35-63(4,5)38(16-18-64(35,6)29(28)20-37(72)67(36,65)62(84)99-66)94-61-55(43(77)34(25-87-61)93-57-48(82)53(41(75)32(23-70)89-57)96-58-46(80)51(85-9)39(73)30(21-68)90-58)98-56-45(79)44(78)50(27(3)88-56)95-60-49(83)54(42(76)33(24-71)92-60)97-59-47(81)52(86-10)40(74)31(22-69)91-59/h20,26-28,30-61,68-83H,11-19,21-25H2,1-10H3/t27-,28?,30-,31-,32-,33-,34-,35?,36?,37+,38+,39-,40-,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,51+,52?,53+,54?,55-,56+,57+,58?,59?,60+,61+,64-,65+,66+,67?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human CCR5 chemokine receptor (CCR5) expressed in CHO cells				Bioorg Med Chem Lett 12: 3203-5 (2002) BindingDB Entry DOI: 10.7270/Q2MG7NVR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM21865 ((14beta)-17-(cyclopropylmethyl)-18-(1-hydroxy-1-me...) Show SMILES [H][C@]12Cc3ccc(O)c4OC5[C@](CCN1CC1CC1)(c34)[C@@]21CCC5(OC)C(C1)C(C)(C)O |TLB:28:26:11.10:21.22,8:19:20:14.12.13,4:3:20:14.12.13| Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18?,19-,22?,24-,25+,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21865 ((14beta)-17-(cyclopropylmethyl)-18-(1-hydroxy-1-me...) Show SMILES [H][C@]12Cc3ccc(O)c4OC5[C@](CCN1CC1CC1)(c34)[C@@]21CCC5(OC)C(C1)C(C)(C)O |TLB:28:26:11.10:21.22,8:19:20:14.12.13,4:3:20:14.12.13| Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18?,19-,22?,24-,25+,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM10759 (2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...) Show SMILES CC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM21865 ((14beta)-17-(cyclopropylmethyl)-18-(1-hydroxy-1-me...) Show SMILES [H][C@]12Cc3ccc(O)c4OC5[C@](CCN1CC1CC1)(c34)[C@@]21CCC5(OC)C(C1)C(C)(C)O |TLB:28:26:11.10:21.22,8:19:20:14.12.13,4:3:20:14.12.13| Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18?,19-,22?,24-,25+,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA Addiction Research Center Curated by PDSP Ki Database									Life Sci 45: 1821-9 (1989) Article DOI: 10.1016/0024-3205(89)90523-7 BindingDB Entry DOI: 10.7270/Q20Z71SN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50120315 (CHEMBL2367888 | Triterpene Glycoside analogue) Show SMILES C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](CO[C@H]2O[C@H]2CC[C@@]3(C)C(CCC4C3=C[C@H](O)C35C(=O)O[C@@](C)(C6CCC(C)(C)O6)[C@@]3(O)CC[C@@]45C)C2(C)C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |t:24| Show InChI InChI=1S/C47H74O19/c1-20-29(50)32(53)34(55)37(60-20)64-36-31(52)24(62-38-35(56)33(54)30(51)23(18-48)61-38)19-59-39(36)63-27-12-14-43(6)22-17-26(49)47-40(57)66-45(8,28-11-13-41(2,3)65-28)46(47,58)16-15-44(47,7)21(22)9-10-25(43)42(27,4)5/h17,20-21,23-39,48-56,58H,9-16,18-19H2,1-8H3/t20-,21?,23-,24-,25?,26+,27+,28?,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,43-,44+,45+,46+,47?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human CCR5 chemokine receptor (CCR5) expressed in CHO cells				Bioorg Med Chem Lett 12: 3203-5 (2002) BindingDB Entry DOI: 10.7270/Q2MG7NVR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006990 (CHEMBL299499 | N-Adamantan-1-yl-N'-(4-iodo-phenyl)...) Show SMILES NC(Nc1ccc(I)cc1)=NC12CC3CC(CC(C3)C1)C2 |w:10.11,TLB:18:17:20:13.12.14,18:13:20:17.19.16,THB:16:17:12:15.20.14,16:15:12:17.19.18| Show InChI InChI=1S/C17H22IN3/c18-14-1-3-15(4-2-14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain				J Med Chem 34: 1867-70 (1991) BindingDB Entry DOI: 10.7270/Q21N802D
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006986 (CHEMBL442356 | N-Adamantan-1-yl-N'-(4-fluoro-2-met...) Show SMILES Cc1cc(F)ccc1N=C(N)NC12CC3CC(CC(C3)C1)C2 |w:8.8,TLB:19:18:21:14.13.15,19:14:21:18.20.17,15:16:20:14.13.19,THB:15:14:20:16.21.17| Show InChI InChI=1S/C18H24FN3/c1-11-4-15(19)2-3-16(11)21-17(20)22-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3,(H3,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain				J Med Chem 34: 1867-70 (1991) BindingDB Entry DOI: 10.7270/Q21N802D
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Mus musculus)	BDBM50228206 (Dexetimide | R-16470 [as hydrochloride]) Show SMILES O=C1CC[C@@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Medical Institutions Curated by ChEMBL					Assay Description Ability (10 ug/kg) to inhibit binding of [125I]iododexetimide to muscarinic receptor in mice				J Med Chem 32: 1057-62 (1989) BindingDB Entry DOI: 10.7270/Q29S1T87
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (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	PDB PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain				J Med Chem 34: 1867-70 (1991) BindingDB Entry DOI: 10.7270/Q21N802D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006991 (CHEMBL55970 | N-Adamantan-1-yl-N'-(2-iodo-phenyl)-...) Show SMILES NC(NC12CC3CC(CC(C3)C1)C2)=Nc1ccccc1I |w:13.16,TLB:6:7:11:5.4.10,THB:6:5:11:7.12.8,8:9:4:7.12.6,8:7:4:9.11.10| Show InChI InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain				J Med Chem 34: 1867-70 (1991) BindingDB Entry DOI: 10.7270/Q21N802D
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006988 (CHEMBL54407 | N-Adamantan-1-yl-N'-(3-methoxy-pheny...) Show SMILES COc1cccc(NC(N)=NC23CC4CC(CC(C4)C2)C3)c1 |w:10.10,TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14| Show InChI InChI=1S/C18H25N3O/c1-22-16-4-2-3-15(8-16)20-17(19)21-18-9-12-5-13(10-18)7-14(6-12)11-18/h2-4,8,12-14H,5-7,9-11H2,1H3,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain				J Med Chem 34: 1867-70 (1991) BindingDB Entry DOI: 10.7270/Q21N802D
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006983 (CHEMBL55873 | N-Adamantan-1-yl-N'-(4-methoxy-2-met...) Show SMILES COc1ccc(N=C(N)NC23CC4CC(CC(C4)C2)C3)c(C)c1 |w:6.5,TLB:17:16:19:12.11.13,17:12:19:16.18.15,13:14:18:12.11.17,THB:13:12:18:14.19.15| Show InChI InChI=1S/C19H27N3O/c1-12-5-16(23-2)3-4-17(12)21-18(20)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h3-5,13-15H,6-11H2,1-2H3,(H3,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain				J Med Chem 34: 1867-70 (1991) BindingDB Entry DOI: 10.7270/Q21N802D
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006993 (CHEMBL293059 | N-Adamantan-1-yl-N'-(2-fluoro-pheny...) Show SMILES NC(NC12CC3CC(CC(C3)C1)C2)=Nc1ccccc1F |w:13.16,TLB:6:7:11:5.4.10,THB:6:5:11:7.12.8,8:9:4:7.12.6,8:7:4:9.11.10| Show InChI InChI=1S/C17H22FN3/c18-14-3-1-2-4-15(14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain				J Med Chem 34: 1867-70 (1991) BindingDB Entry DOI: 10.7270/Q21N802D
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006987 (CHEMBL55769 | N-Adamantan-1-yl-N'-(3-iodo-phenyl)-...) Show SMILES NC(Nc1cccc(I)c1)=NC12CC3CC(CC(C3)C1)C2 |w:10.11,TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14| Show InChI InChI=1S/C17H22IN3/c18-14-2-1-3-15(7-14)20-16(19)21-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain				J Med Chem 34: 1867-70 (1991) BindingDB Entry DOI: 10.7270/Q21N802D
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006989 (CHEMBL292450 | N-Adamantan-1-yl-N'-(4-fluoro-pheny...) Show SMILES NC(Nc1ccc(F)cc1)=NC12CC3CC(CC(C3)C1)C2 |w:10.11,TLB:18:17:20:13.12.14,18:13:20:17.19.16,THB:16:17:12:15.20.14,16:15:12:17.19.18| Show InChI InChI=1S/C17H22FN3/c18-14-1-3-15(4-2-14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain				J Med Chem 34: 1867-70 (1991) BindingDB Entry DOI: 10.7270/Q21N802D
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006992 (CHEMBL292668 | N-Adamantan-1-yl-N'-(4-methoxy-phen...) Show SMILES COc1ccc(NC(N)=NC23CC4CC(CC(C4)C2)C3)cc1 |w:9.9,TLB:17:16:19:12.11.13,17:12:19:16.18.15,THB:15:16:11:14.19.13,15:14:11:16.18.17| Show InChI InChI=1S/C18H25N3O/c1-22-16-4-2-15(3-5-16)20-17(19)21-18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain				J Med Chem 34: 1867-70 (1991) BindingDB Entry DOI: 10.7270/Q21N802D
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006984 (CHEMBL413257 | N-Adamantan-1-yl-N'-(3-fluoro-pheny...) Show SMILES NC(Nc1cccc(F)c1)=NC12CC3CC(CC(C3)C1)C2 |w:10.11,TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14| Show InChI InChI=1S/C17H22FN3/c18-14-2-1-3-15(7-14)20-16(19)21-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain				J Med Chem 34: 1867-70 (1991) BindingDB Entry DOI: 10.7270/Q21N802D
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50018556 ((+)-1'-benzyl-3-phenyl-3,4'-bipiperidine-2,6-dione...) Show SMILES O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Medical Institutions Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from rat brain homogenate				J Med Chem 32: 1057-62 (1989) BindingDB Entry DOI: 10.7270/Q29S1T87
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006985 (CHEMBL301623 | N-Adamantan-1-yl-N'-(2-methoxy-phen...) Show SMILES COc1ccccc1N=C(N)NC12CC3CC(CC(C3)C1)C2 |w:8.8,TLB:15:16:20:14.13.19,THB:15:14:20:16.21.17,17:18:13:16.21.15,17:16:13:18.20.19| Show InChI InChI=1S/C18H25N3O/c1-22-16-5-3-2-4-15(16)20-17(19)21-18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain				J Med Chem 34: 1867-70 (1991) BindingDB Entry DOI: 10.7270/Q21N802D
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50228211 (CHEMBL274789) Show SMILES Ic1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H25IN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Medical Institutions Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from rat brain homogenate				J Med Chem 32: 1057-62 (1989) BindingDB Entry DOI: 10.7270/Q29S1T87
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50228212 (CHEMBL10086) Show SMILES Fc1cccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)c1 Show InChI InChI=1S/C23H25FN2O2/c24-20-8-4-5-17(15-20)16-26-13-10-19(11-14-26)23(18-6-2-1-3-7-18)12-9-21(27)25-22(23)28/h1-8,15,19H,9-14,16H2,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Medical Institutions Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from rat brain homogenate				J Med Chem 32: 1057-62 (1989) BindingDB Entry DOI: 10.7270/Q29S1T87
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50228214 (CHEMBL10278) Show SMILES Ic1cccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)c1 Show InChI InChI=1S/C23H25IN2O2/c24-20-8-4-5-17(15-20)16-26-13-10-19(11-14-26)23(18-6-2-1-3-7-18)12-9-21(27)25-22(23)28/h1-8,15,19H,9-14,16H2,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Medical Institutions Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from rat brain homogenate				J Med Chem 32: 1057-62 (1989) BindingDB Entry DOI: 10.7270/Q29S1T87
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50228209 (CHEMBL10399) Show SMILES Brc1cccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)c1 Show InChI InChI=1S/C23H25BrN2O2/c24-20-8-4-5-17(15-20)16-26-13-10-19(11-14-26)23(18-6-2-1-3-7-18)12-9-21(27)25-22(23)28/h1-8,15,19H,9-14,16H2,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Medical Institutions Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from rat brain homogenate				J Med Chem 32: 1057-62 (1989) BindingDB Entry DOI: 10.7270/Q29S1T87
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50228213 (CHEMBL273262) Show SMILES Clc1cccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)c1 Show InChI InChI=1S/C23H25ClN2O2/c24-20-8-4-5-17(15-20)16-26-13-10-19(11-14-26)23(18-6-2-1-3-7-18)12-9-21(27)25-22(23)28/h1-8,15,19H,9-14,16H2,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Medical Institutions Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from rat brain homogenate				J Med Chem 32: 1057-62 (1989) BindingDB Entry DOI: 10.7270/Q29S1T87
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50018560 ((+/-)-1'-(4-chlorobenzyl)-3-phenyl-3,4'-bipiperidi...) Show SMILES Clc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H25ClN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Medical Institutions Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from rat brain homogenate				J Med Chem 32: 1057-62 (1989) BindingDB Entry DOI: 10.7270/Q29S1T87
					More data for this Ligand-Target Pair

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