Found 43 hits of Enzyme Inhibition Constant Data 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 |
|---|
kappa-type opioid receptor isoform 1
(Frog) | BDBM81931
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM81931
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM81931
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM81931
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM81931
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM81931
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM81935
(CAS_105618-26-6 | NSC_3034416 | Nor-BNI)Show SMILES Oc1ccc2CC(C3CC3)N3CCC45C(Oc1c24)c1[nH]c2C4Oc6c7c(CC(C8CC8)N8CCC47C(O)(C8)Cc2c1CC5(O)C3)ccc6O |TLB:7:6:12.11:44.42,43:42:6.5.4.17:12.11,28:27:35.37:32.33,THB:23:24:35.37:32.33,45:25:35.37:32.33,41:42:6.5.4.17:12.11,16:17:12.11:44.42,3:4:12.11:44.42,36:35:32.33:25.24.26.27| Show InChI InChI=1S/C40H43N3O6/c44-27-7-5-21-13-25(19-1-2-19)42-11-9-39-29(21)33(27)48-35(39)31-23(15-37(39,46)17-42)24-16-38(47)18-43-12-10-40(38)30-22(14-26(43)20-3-4-20)6-8-28(45)34(30)49-36(40)32(24)41-31/h5-8,19-20,25-26,35-36,41,44-47H,1-4,9-18H2 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM50000091
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM50000091
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000091
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM81934
(Beta-Endorphin)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O Show InChI InChI=1S/C154H248N42O44S/c1-17-82(10)123(150(235)191-121(80(6)7)148(233)181-98(43-28-33-60-159)133(218)185-108(69-115(163)205)138(223)170-83(11)127(212)182-107(68-91-71-165-77-169-91)143(228)177-95(40-25-30-57-156)131(216)174-94(39-24-29-56-155)130(215)168-74-119(209)172-102(154(239)240)50-53-114(162)204)192-128(213)84(12)171-139(224)109(70-116(164)206)184-132(217)96(41-26-31-58-157)176-142(227)106(67-89-37-22-19-23-38-89)183-140(225)103(63-78(2)3)187-151(236)125(86(14)200)194-149(234)122(81(8)9)190-144(229)104(64-79(4)5)186-147(232)112-44-34-61-196(112)153(238)126(87(15)201)195-136(221)99(49-52-113(161)203)178-145(230)110(75-197)188-134(219)97(42-27-32-59-158)175-135(220)100(51-54-120(210)211)179-146(231)111(76-198)189-152(237)124(85(13)199)193-137(222)101(55-62-241-16)180-141(226)105(66-88-35-20-18-21-36-88)173-118(208)73-166-117(207)72-167-129(214)93(160)65-90-45-47-92(202)48-46-90/h18-23,35-38,45-48,71,77-87,93-112,121-126,197-202H,17,24-34,39-44,49-70,72-76,155-160H2,1-16H3,(H2,161,203)(H2,162,204)(H2,163,205)(H2,164,206)(H,165,169)(H,166,207)(H,167,214)(H,168,215)(H,170,223)(H,171,224)(H,172,209)(H,173,208)(H,174,216)(H,175,220)(H,176,227)(H,177,228)(H,178,230)(H,179,231)(H,180,226)(H,181,233)(H,182,212)(H,183,225)(H,184,217)(H,185,218)(H,186,232)(H,187,236)(H,188,219)(H,189,237)(H,190,229)(H,191,235)(H,192,213)(H,193,222)(H,194,234)(H,195,221)(H,210,211)(H,239,240)/t82-,83-,84-,85+,86+,87+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,121-,122-,123-,124-,125-,126-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM224024
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM81935
(CAS_105618-26-6 | NSC_3034416 | Nor-BNI)Show SMILES Oc1ccc2CC(C3CC3)N3CCC45C(Oc1c24)c1[nH]c2C4Oc6c7c(CC(C8CC8)N8CCC47C(O)(C8)Cc2c1CC5(O)C3)ccc6O |TLB:7:6:12.11:44.42,43:42:6.5.4.17:12.11,28:27:35.37:32.33,THB:23:24:35.37:32.33,45:25:35.37:32.33,41:42:6.5.4.17:12.11,16:17:12.11:44.42,3:4:12.11:44.42,36:35:32.33:25.24.26.27| Show InChI InChI=1S/C40H43N3O6/c44-27-7-5-21-13-25(19-1-2-19)42-11-9-39-29(21)33(27)48-35(39)31-23(15-37(39,46)17-42)24-16-38(47)18-43-12-10-40(38)30-22(14-26(43)20-3-4-20)6-8-28(45)34(30)49-36(40)32(24)41-31/h5-8,19-20,25-26,35-36,41,44-47H,1-4,9-18H2 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000091
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM81932
((-)-alpha-(1R,5R,9R)-5,9-Dimethyl-2-L-tetrahydrofu...)Show SMILES CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C[C@H]1CCCO1 |TLB:16:15:4.10.3:1| Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13?,16-,18-,19-/m1/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
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| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50169774
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)Show SMILES CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17?,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM224024
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
Reactome pathway
KEGG
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM81936
(CAS_111728-01-9 | NSC_122115 | PD117302)Show InChI InChI=1S/C21H28N2OS/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3 | PDB
Reactome pathway
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
Reactome pathway
KEGG
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM50000091
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000091
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1 | PDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 28.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM81935
(CAS_105618-26-6 | NSC_3034416 | Nor-BNI)Show SMILES Oc1ccc2CC(C3CC3)N3CCC45C(Oc1c24)c1[nH]c2C4Oc6c7c(CC(C8CC8)N8CCC47C(O)(C8)Cc2c1CC5(O)C3)ccc6O |TLB:7:6:12.11:44.42,43:42:6.5.4.17:12.11,28:27:35.37:32.33,THB:23:24:35.37:32.33,45:25:35.37:32.33,41:42:6.5.4.17:12.11,16:17:12.11:44.42,3:4:12.11:44.42,36:35:32.33:25.24.26.27| Show InChI InChI=1S/C40H43N3O6/c44-27-7-5-21-13-25(19-1-2-19)42-11-9-39-29(21)33(27)48-35(39)31-23(15-37(39,46)17-42)24-16-38(47)18-43-12-10-40(38)30-22(14-26(43)20-3-4-20)6-8-28(45)34(30)49-36(40)32(24)41-31/h5-8,19-20,25-26,35-36,41,44-47H,1-4,9-18H2 | PDB
Reactome pathway
UniProtKB/TrEMBL
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| PC cid
PC sid
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Similars
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PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM81934
(Beta-Endorphin)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O Show InChI InChI=1S/C154H248N42O44S/c1-17-82(10)123(150(235)191-121(80(6)7)148(233)181-98(43-28-33-60-159)133(218)185-108(69-115(163)205)138(223)170-83(11)127(212)182-107(68-91-71-165-77-169-91)143(228)177-95(40-25-30-57-156)131(216)174-94(39-24-29-56-155)130(215)168-74-119(209)172-102(154(239)240)50-53-114(162)204)192-128(213)84(12)171-139(224)109(70-116(164)206)184-132(217)96(41-26-31-58-157)176-142(227)106(67-89-37-22-19-23-38-89)183-140(225)103(63-78(2)3)187-151(236)125(86(14)200)194-149(234)122(81(8)9)190-144(229)104(64-79(4)5)186-147(232)112-44-34-61-196(112)153(238)126(87(15)201)195-136(221)99(49-52-113(161)203)178-145(230)110(75-197)188-134(219)97(42-27-32-59-158)175-135(220)100(51-54-120(210)211)179-146(231)111(76-198)189-152(237)124(85(13)199)193-137(222)101(55-62-241-16)180-141(226)105(66-88-35-20-18-21-36-88)173-118(208)73-166-117(207)72-167-129(214)93(160)65-90-45-47-92(202)48-46-90/h18-23,35-38,45-48,71,77-87,93-112,121-126,197-202H,17,24-34,39-44,49-70,72-76,155-160H2,1-16H3,(H2,161,203)(H2,162,204)(H2,163,205)(H2,164,206)(H,165,169)(H,166,207)(H,167,214)(H,168,215)(H,170,223)(H,171,224)(H,172,209)(H,173,208)(H,174,216)(H,175,220)(H,176,227)(H,177,228)(H,178,230)(H,179,231)(H,180,226)(H,181,233)(H,182,212)(H,183,225)(H,184,217)(H,185,218)(H,186,232)(H,187,236)(H,188,219)(H,189,237)(H,190,229)(H,191,235)(H,192,213)(H,193,222)(H,194,234)(H,195,221)(H,210,211)(H,239,240)/t82-,83-,84-,85+,86+,87+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,121-,122-,123-,124-,125-,126-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM224024
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
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CHEMBL
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PC cid
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UniChem
Similars
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PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
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CHEMBL
MCE
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PC cid
PC sid
UniChem
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PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
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CHEMBL
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PC cid
PC sid
UniChem
Similars
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PubMed
| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM81934
(Beta-Endorphin)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O Show InChI InChI=1S/C154H248N42O44S/c1-17-82(10)123(150(235)191-121(80(6)7)148(233)181-98(43-28-33-60-159)133(218)185-108(69-115(163)205)138(223)170-83(11)127(212)182-107(68-91-71-165-77-169-91)143(228)177-95(40-25-30-57-156)131(216)174-94(39-24-29-56-155)130(215)168-74-119(209)172-102(154(239)240)50-53-114(162)204)192-128(213)84(12)171-139(224)109(70-116(164)206)184-132(217)96(41-26-31-58-157)176-142(227)106(67-89-37-22-19-23-38-89)183-140(225)103(63-78(2)3)187-151(236)125(86(14)200)194-149(234)122(81(8)9)190-144(229)104(64-79(4)5)186-147(232)112-44-34-61-196(112)153(238)126(87(15)201)195-136(221)99(49-52-113(161)203)178-145(230)110(75-197)188-134(219)97(42-27-32-59-158)175-135(220)100(51-54-120(210)211)179-146(231)111(76-198)189-152(237)124(85(13)199)193-137(222)101(55-62-241-16)180-141(226)105(66-88-35-20-18-21-36-88)173-118(208)73-166-117(207)72-167-129(214)93(160)65-90-45-47-92(202)48-46-90/h18-23,35-38,45-48,71,77-87,93-112,121-126,197-202H,17,24-34,39-44,49-70,72-76,155-160H2,1-16H3,(H2,161,203)(H2,162,204)(H2,163,205)(H2,164,206)(H,165,169)(H,166,207)(H,167,214)(H,168,215)(H,170,223)(H,171,224)(H,172,209)(H,173,208)(H,174,216)(H,175,220)(H,176,227)(H,177,228)(H,178,230)(H,179,231)(H,180,226)(H,181,233)(H,182,212)(H,183,225)(H,184,217)(H,185,218)(H,186,232)(H,187,236)(H,188,219)(H,189,237)(H,190,229)(H,191,235)(H,192,213)(H,193,222)(H,194,234)(H,195,221)(H,210,211)(H,239,240)/t82-,83-,84-,85+,86+,87+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,121-,122-,123-,124-,125-,126-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM81933
((+)-alpha-(1R,5R,9R)-5,9-Dimethyl-2-L-tetrahydrofu...)Show SMILES CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C[C@@H]1CCCO1 |TLB:16:15:4.10.3:1| Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13?,16-,18+,19+/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM50169774
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)Show SMILES CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17?,18-/m1/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
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 |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM81936
(CAS_111728-01-9 | NSC_122115 | PD117302)Show InChI InChI=1S/C21H28N2OS/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
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