Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 4748   

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
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
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
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
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
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)