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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'wagner' and Initial = 'hn'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(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)
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0.0200n/an/an/an/an/an/an/an/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007518
PNG
((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
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0.0400n/an/an/an/an/an/an/an/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM81950
PNG
(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)
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0.130n/an/an/an/an/an/an/an/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM81950
PNG
(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)
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0.215n/an/an/an/an/an/an/an/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(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
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0.650n/an/an/an/an/an/an/an/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50008735
PNG
((+)-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
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0.970n/an/an/an/an/an/an/an/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM81195
PNG
((+/-)-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
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1.07n/an/an/an/an/an/an/an/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM11638
PNG
(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)
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6.58n/an/an/an/an/an/an/an/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM81195
PNG
((+/-)-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
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24.9n/an/an/an/an/an/an/an/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
PNG
(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)
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62n/an/an/an/an/an/an/an/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
PNG
(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)
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110n/an/an/an/an/an/an/an/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
DOPAMINE


(RAT)
BDBM82247
PNG
(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
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178n/an/an/an/an/an/an/an/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21395
PNG
(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)
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192n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM81950
PNG
(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)
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209n/an/an/an/an/an/an/an/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50008735
PNG
((+)-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
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313n/an/an/an/an/an/an/an/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM81950
PNG
(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)
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1.79E+3n/an/an/an/an/an/an/an/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
DOPAMINE


(RAT)
BDBM81950
PNG
(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)
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1.88E+3n/an/an/an/an/an/an/an/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
adrenergic Alpha2


(RAT)
BDBM50016897
PNG
(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)
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2.07E+3n/an/an/an/an/an/an/an/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
PNG
(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)
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2.72E+3n/an/an/an/an/an/an/an/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
PNG
(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)
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5.71E+3n/an/an/an/an/an/an/an/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
PNG
(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
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>1.00E+4n/an/an/an/an/an/an/an/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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM21865
PNG
((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
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>1.00E+4n/an/an/an/an/an/an/an/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
PNG
((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
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>1.00E+4n/an/an/an/an/an/an/an/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21865
PNG
((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
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>1.00E+4n/an/an/an/an/an/an/an/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006990
PNG
(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)
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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
PNG
(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)
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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


(Mus musculus)
BDBM50228206
PNG
(DEXETIMIDE | Dexetimide | R-16470 [as hydrochlorid...)
Show SMILES O=C1CC[C@@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1
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Johns Hopkins Medical Institutions

Curated by ChEMBL




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
PNG
(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
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n/an/a 5n/an/an/an/an/an/a



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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
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006991
PNG
(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)
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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
PNG
(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)
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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
PNG
(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)
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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
PNG
(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)
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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
PNG
(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)
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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
PNG
(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)
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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
PNG
(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)
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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
PNG
(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)
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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


(RAT)
BDBM50018556
PNG
((+)-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)
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Johns Hopkins Medical Institutions

Curated by ChEMBL




J Med Chem 32: 1057-62 (1989)


BindingDB Entry DOI: 10.7270/Q29S1T87
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228211
PNG
(CHEMBL274789)
Show SMILES Ic1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1
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Johns Hopkins Medical Institutions

Curated by ChEMBL




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
PNG
(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)
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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


(RAT)
BDBM50228212
PNG
(CHEMBL10086)
Show SMILES Fc1cccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)c1
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Johns Hopkins Medical Institutions

Curated by ChEMBL




J Med Chem 32: 1057-62 (1989)


BindingDB Entry DOI: 10.7270/Q29S1T87
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228214
PNG
(CHEMBL10278)
Show SMILES Ic1cccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)c1
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Johns Hopkins Medical Institutions

Curated by ChEMBL




J Med Chem 32: 1057-62 (1989)


BindingDB Entry DOI: 10.7270/Q29S1T87
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228209
PNG
(CHEMBL10399)
Show SMILES Brc1cccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)c1
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Johns Hopkins Medical Institutions

Curated by ChEMBL




J Med Chem 32: 1057-62 (1989)


BindingDB Entry DOI: 10.7270/Q29S1T87
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228213
PNG
(CHEMBL273262)
Show SMILES Clc1cccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)c1
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Johns Hopkins Medical Institutions

Curated by ChEMBL




J Med Chem 32: 1057-62 (1989)


BindingDB Entry DOI: 10.7270/Q29S1T87
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50018560
PNG
((+/-)-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)
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Johns Hopkins Medical Institutions

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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))
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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antibodypedia
GoogleScholar
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PC sid
UniChem

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n/an/a 28n/an/an/an/an/an/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


(RAT)
BDBM50228205
PNG
(CHEMBL10331)
Show SMILES Fc1ccccc1CN1CCC(CC1)C1(CCC(=O)NC1=O)c1ccccc1
PDB

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 32n/an/an/an/an/an/a



Johns Hopkins Medical Institutions

Curated by ChEMBL




J Med Chem 32: 1057-62 (1989)


BindingDB Entry DOI: 10.7270/Q29S1T87
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50018553
PNG
((+)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidine-...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H25BrN2O2/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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 38n/an/an/an/an/an/a



Johns Hopkins Medical Institutions

Curated by ChEMBL




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))
BDBM81924
PNG
((R)-3-(1-Propyl-piperidin-3-yl)-phenol | 3PPP(+/-)...)
Show SMILES CCCN1CCCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 76n/an/an/an/an/an/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


(RAT)
BDBM50018551
PNG
((+/-)-1'-(4-fluorobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES Fc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H25FN2O2/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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 98n/an/an/an/an/an/a



Johns Hopkins Medical Institutions

Curated by ChEMBL




J Med Chem 32: 1057-62 (1989)


BindingDB Entry DOI: 10.7270/Q29S1T87
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228207
PNG
(CHEMBL9966)
Show SMILES Clc1ccccc1CN1CCC(CC1)C1(CCC(=O)NC1=O)c1ccccc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 460n/an/an/an/an/an/a



Johns Hopkins Medical Institutions

Curated by ChEMBL




J Med Chem 32: 1057-62 (1989)


BindingDB Entry DOI: 10.7270/Q29S1T87
More data for this
Ligand-Target Pair
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