BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 327 hits with Last Name = 'schwartz' and Initial = 'tw'   
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
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50346950
PNG
(CHEMBL485832)
Show SMILES NC(N)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(C[C@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |r,wU:25.29,16.16,wD:24.26,10.10,(29.24,2.21,;28.18,1.09,;28.63,-.39,;26.68,1.44,;25.63,.32,;26.07,-1.15,;25.02,-2.26,;23.54,-1.9,;22.28,-2.76,;21.07,-1.84,;19.56,-2.11,;18.6,-3.32,;16.7,-2.72,;17.22,-1.24,;16.07,-.08,;16.57,1.37,;18.08,1.66,;17.24,3.55,;17.28,5.09,;18.63,5.82,;20.18,5.78,;19.45,7.14,;16.72,1.91,;17.37,-.05,;18.71,-.83,;19.2,.35,;19.7,1.82,;20.59,.77,;21.58,-.4,;23.11,-.44,;24.15,.67,;14.56,-.37,;14.05,-1.82,;15.05,-2.99,;14.52,-4.44,)|
Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20-,24+,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0600n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Mutant factor of the compound against mu-[K303E] with Opioid receptor kappa 1 for binding affinity


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50346950
PNG
(CHEMBL485832)
Show SMILES NC(N)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(C[C@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |r,wU:25.29,16.16,wD:24.26,10.10,(29.24,2.21,;28.18,1.09,;28.63,-.39,;26.68,1.44,;25.63,.32,;26.07,-1.15,;25.02,-2.26,;23.54,-1.9,;22.28,-2.76,;21.07,-1.84,;19.56,-2.11,;18.6,-3.32,;16.7,-2.72,;17.22,-1.24,;16.07,-.08,;16.57,1.37,;18.08,1.66,;17.24,3.55,;17.28,5.09,;18.63,5.82,;20.18,5.78,;19.45,7.14,;16.72,1.91,;17.37,-.05,;18.71,-.83,;19.2,.35,;19.7,1.82,;20.59,.77,;21.58,-.4,;23.11,-.44,;24.15,.67,;14.56,-.37,;14.05,-1.82,;15.05,-2.99,;14.52,-4.44,)|
Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20-,24+,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0900n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Effect on binding affinity of mutational exchange of Glu297 in the Opioid receptor kappa 1 in transiently expressed rat cos-7 cells activity expresse...


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.120n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Effect on binding affinity of mutational exchange of Glu297 in the Opioid receptor kappa 1 in transiently expressed rat cos-7 cells activity expresse...


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
0.130n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087456
PNG
(17-Methyl-17'-cyclopropylmethyl-3'-hydroxy-6,6',7,...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:41:9:12:1.3.2,7:8:12:1.3.2,THB:22:21:17:35.33.34,26:40:17:35.33.34|
Show InChI InChI=1S/C37H39N3O5/c1-39-10-8-35-22-14-20-21-15-37(43)26-13-19-5-7-25(42)32-28(19)36(37,9-11-40(26)16-17-2-3-17)34(45-32)30(21)38-29(20)33(35)44-31-24(41)6-4-18(27(31)35)12-23(22)39/h4-7,17,22-23,26,33-34,38,41-43H,2-3,8-16H2,1H3/t22-,23?,26?,33-,34-,35-,36-,37+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
0.160n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against K303E Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50068379
PNG
(5'-[N-(N'-Cyano)guanidinyl]-17-cyclopropylmethyl-6...)
Show SMILES NC(Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NC#N |w:34.42,TLB:11:12:24:16.22.21,30:13:24:16.22.21|
Show InChI InChI=1S/C28H28N6O3/c29-13-31-26(30)32-16-4-5-19-17(10-16)18-11-28(36)21-9-15-3-6-20(35)24-22(15)27(28,25(37-24)23(18)33-19)7-8-34(21)12-14-1-2-14/h3-6,10,14,21,25,33,35-36H,1-2,7-9,11-12H2,(H3,30,31,32)/t21?,25-,27-,28+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.270n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Effect on binding affinity of mutational exchange of Glu297 in the Opioid receptor kappa 1 in transiently expressed rat cos-7 cells activity expresse...


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3|
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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.270n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3|
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
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.280n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50068379
PNG
(5'-[N-(N'-Cyano)guanidinyl]-17-cyclopropylmethyl-6...)
Show SMILES NC(Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NC#N |w:34.42,TLB:11:12:24:16.22.21,30:13:24:16.22.21|
Show InChI InChI=1S/C28H28N6O3/c29-13-31-26(30)32-16-4-5-19-17(10-16)18-11-28(36)21-9-15-3-6-20(35)24-22(15)27(28,25(37-24)23(18)33-19)7-8-34(21)12-14-1-2-14/h3-6,10,14,21,25,33,35-36H,1-2,7-9,11-12H2,(H3,30,31,32)/t21?,25-,27-,28+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.290n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Mutant factor against mu-[K303E] with Opioid receptor kappa 1 for binding affinity


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087456
PNG
(17-Methyl-17'-cyclopropylmethyl-3'-hydroxy-6,6',7,...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:41:9:12:1.3.2,7:8:12:1.3.2,THB:22:21:17:35.33.34,26:40:17:35.33.34|
Show InChI InChI=1S/C37H39N3O5/c1-39-10-8-35-22-14-20-21-15-37(43)26-13-19-5-7-25(42)32-28(19)36(37,9-11-40(26)16-17-2-3-17)34(45-32)30(21)38-29(20)33(35)44-31-24(41)6-4-18(27(31)35)12-23(22)39/h4-7,17,22-23,26,33-34,38,41-43H,2-3,8-16H2,1H3/t22-,23?,26?,33-,34-,35-,36-,37+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
0.320n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3|
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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.330n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against K303E Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3|
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
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.370n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against E297K mutant Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001714
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2...)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3|
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
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.380n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against E297A mutant Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087460
PNG
(17-cyclopropylmethyl-17'-cyclopropylmethyl-3'-hydr...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:4:5:44:8.14.13,46:27:38:30.36.35,25:26:38:30.36.35,18:19:44:8.14.13|
Show InChI InChI=1S/C41H45N3O6/c1-48-27-9-7-23-15-29-41(47)17-25-24-16-40(46)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-2-3-20)36(49-34)32(24)42-33(25)37-39(41,31(23)35(27)50-37)11-13-44(29)19-21-4-5-21/h6-9,20-21,28-29,36-37,42,45-47H,2-5,10-19H2,1H3/t28?,29?,36-,37-,38-,39-,40+,41+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
0.390n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087458
PNG
(17-Cyclopropylmethyl-17'-guanidinyl-6,6',7,7'-tetr...)
Show SMILES NC(=N)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:44:11:14:3.5.4,9:10:14:3.5.4,THB:29:43:20:38.36.37,25:24:20:38.36.37|
Show InChI InChI=1S/C37H39N5O6/c38-33(39)42-10-8-35-26-18-4-6-22(44)30(26)48-32(35)28-20(14-37(35,46)24(42)12-18)19-13-36(45)23-11-17-3-5-21(43)29-25(17)34(36,31(47-29)27(19)40-28)7-9-41(23)15-16-1-2-16/h3-6,16,23-24,31-32,40,43-46H,1-2,7-15H2,(H3,38,39)/t23?,24?,31-,32-,34-,35-,36+,37+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
0.570n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1r in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50366689
PNG
(GHRELIN)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:65.67,185.189,192.197,230.236,120.122,11.11,69.70,129.131,19.19,164.166,37.36,173.175,201.205,48.48,218.222,111.113,56.56,wD:106.109,196.201,31.30,140.142,78.79,149.151,158.160,88.90,97.99,210.214,(-10.37,-25.43,;-9.06,-26.25,;-7.69,-25.54,;-6.4,-26.34,;-5.04,-25.62,;-3.72,-26.44,;-2.37,-25.72,;-2.31,-24.18,;-3.63,-23.36,;-.95,-23.47,;-.89,-21.92,;.45,-21.2,;1.74,-22.05,;1.71,-23.59,;.35,-24.3,;3.02,-24.41,;2.96,-25.94,;4.26,-26.76,;5.62,-26.03,;4.21,-28.3,;5.52,-29.12,;2.86,-29.01,;1.55,-28.21,;.19,-28.92,;-1.13,-28.13,;-2.49,-28.84,;-2.56,-30.38,;-3.82,-28.04,;.51,-19.67,;1.87,-18.94,;-.8,-18.87,;-.72,-17.33,;.63,-16.62,;.68,-15.08,;-2.02,-16.52,;-3.39,-17.24,;-1.98,-14.98,;-3.28,-14.16,;-4.66,-14.88,;-5.95,-14.06,;-7.3,-14.78,;-8.59,-13.97,;-8.55,-12.43,;-7.19,-11.7,;-5.88,-12.51,;-3.24,-12.62,;-4.54,-11.8,;-1.88,-11.9,;-1.81,-10.36,;-3.12,-9.54,;-3.06,-8,;-4.37,-7.19,;-1.71,-7.28,;-.46,-9.64,;.85,-10.45,;-.4,-8.1,;.96,-7.38,;1.01,-5.83,;-.31,-5.04,;2.26,-8.19,;1.95,-9.69,;3.72,-7.72,;4.22,-6.25,;5.76,-6.25,;6.23,-7.71,;4.98,-8.61,;4.98,-10.16,;3.64,-10.92,;6.3,-10.95,;7.63,-10.18,;7.63,-8.64,;8.96,-7.87,;8.96,-6.33,;10.28,-5.58,;7.63,-5.56,;8.96,-10.94,;10.3,-10.18,;8.94,-12.48,;7.6,-13.24,;6.26,-12.47,;4.93,-13.24,;3.52,-12.6,;2.48,-13.74,;3.25,-15.07,;4.76,-14.77,;7.6,-14.78,;8.93,-15.55,;6.27,-15.55,;6.27,-17.09,;4.93,-17.86,;4.93,-19.4,;3.6,-20.17,;2.27,-19.41,;3.6,-21.71,;7.6,-17.86,;7.6,-19.4,;8.93,-17.09,;10.27,-17.85,;10.27,-19.39,;11.62,-20.16,;11.62,-21.7,;12.94,-22.47,;12.93,-24.02,;11.62,-17.08,;12.94,-17.85,;11.61,-15.54,;12.94,-14.77,;14.28,-15.54,;12.94,-13.23,;11.61,-12.47,;14.27,-12.46,;14.28,-10.92,;12.95,-10.16,;12.95,-8.61,;11.61,-7.85,;10.24,-8.64,;11.61,-6.3,;15.6,-10.16,;16.95,-10.92,;15.56,-8.62,;16.9,-7.85,;16.9,-6.31,;15.56,-5.54,;15.56,-4,;16.85,-3.26,;14.22,-3.23,;18.23,-8.62,;18.23,-10.16,;19.57,-7.86,;20.92,-8.59,;22.25,-7.82,;22.25,-6.28,;23.59,-5.51,;24.89,-6.32,;26.21,-5.53,;27.53,-6.34,;26.19,-4.02,;20.92,-10.13,;19.58,-10.9,;22.23,-10.94,;22.26,-12.48,;20.93,-13.26,;20.93,-14.79,;19.59,-15.57,;18.26,-14.79,;18.23,-13.29,;23.59,-13.26,;23.59,-14.79,;24.93,-12.49,;26.28,-13.23,;26.28,-14.77,;27.62,-15.54,;27.62,-17.08,;26.27,-17.86,;28.95,-17.85,;27.62,-12.46,;27.62,-10.93,;28.94,-13.24,;30.27,-12.46,;31.6,-13.23,;32.93,-12.48,;30.27,-10.92,;28.94,-10.16,;31.61,-10.16,;31.62,-8.62,;30.29,-7.85,;30.29,-6.31,;28.95,-5.54,;28.95,-4,;27.61,-3.24,;32.95,-7.85,;34.28,-8.62,;32.94,-6.31,;34.27,-5.54,;34.27,-4,;32.94,-3.23,;32.94,-1.69,;31.61,-.92,;31.59,.62,;35.61,-6.31,;35.61,-7.85,;36.94,-5.54,;37.1,-4.04,;38.62,-3.7,;39.39,-5.03,;38.39,-6.18,;38.7,-7.66,;37.62,-8.74,;40.19,-8.15,;41.43,-7.23,;42.69,-8.12,;42.22,-9.6,;40.68,-9.6,;39.89,-10.92,;38.34,-10.89,;40.63,-12.27,;39.83,-13.59,;38.29,-13.57,;40.58,-14.95,;42.12,-14.97,;39.78,-16.26,;40.53,-17.61,;42.07,-17.63,;42.87,-16.31,;44.4,-16.34,;45.15,-17.69,;46.68,-17.73,;39.73,-18.92,;40.48,-20.27,;38.19,-18.9,;37.4,-20.22,;35.86,-20.19,;35.07,-21.51,;33.53,-21.48,;35.82,-22.85,;38.15,-21.56,;39.69,-21.6,;37.36,-22.88,;38.1,-24.23,;39.65,-24.27,;40.39,-25.61,;41.93,-25.64,;42.66,-26.99,;42.72,-24.32,;37.3,-25.55,;35.77,-25.52,;38.03,-26.89,;39.64,-27.11,;39.85,-28.64,;38.55,-29.35,;37.45,-28.32,;35.9,-28.61,;35.48,-30.09,;34.83,-27.5,)|
Show InChI InChI=1S/C147H245N45O42/c1-8-9-10-11-15-45-118(205)234-78-106(169-115(200)74-165-121(208)86(153)34-26-63-163-146(158)159)138(225)187-104(76-194)137(224)184-101(71-84-32-13-12-14-33-84)134(221)183-100(70-81(4)5)133(220)188-105(77-195)143(230)189-65-28-42-108(189)140(227)179-96(51-57-117(203)204)130(217)185-102(72-85-73-162-79-166-85)135(222)178-94(48-54-113(156)198)129(216)172-87(35-16-21-58-148)122(209)167-82(6)119(206)171-92(46-52-111(154)196)127(214)176-93(47-53-112(155)197)128(215)174-91(40-27-64-164-147(160)161)124(211)173-89(37-18-23-60-150)123(210)177-95(50-56-116(201)202)131(218)186-103(75-193)136(223)175-90(38-19-24-61-151)125(212)180-97(39-20-25-62-152)141(228)191-67-30-43-109(191)144(231)190-66-29-41-107(190)139(226)168-83(7)120(207)170-88(36-17-22-59-149)126(213)182-99(69-80(2)3)132(219)181-98(49-55-114(157)199)142(229)192-68-31-44-110(192)145(232)233/h12-14,32-33,73,79-83,86-110,193-195H,8-11,15-31,34-72,74-78,148-153H2,1-7H3,(H2,154,196)(H2,155,197)(H2,156,198)(H2,157,199)(H,162,166)(H,165,208)(H,167,209)(H,168,226)(H,169,200)(H,170,207)(H,171,206)(H,172,216)(H,173,211)(H,174,215)(H,175,223)(H,176,214)(H,177,210)(H,178,222)(H,179,227)(H,180,212)(H,181,219)(H,182,213)(H,183,221)(H,184,224)(H,185,217)(H,186,218)(H,187,225)(H,188,220)(H,201,202)(H,203,204)(H,232,233)(H4,158,159,163)(H4,160,161,164)/t82-,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay


J Med Chem 55: 7437-49 (2012)


Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.770n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Mutant factor against mu-[K303E] with Opioid receptor kappa 1 for binding affinity


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
0.940n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against K303E Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50068379
PNG
(5'-[N-(N'-Cyano)guanidinyl]-17-cyclopropylmethyl-6...)
Show SMILES NC(Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NC#N |w:34.42,TLB:11:12:24:16.22.21,30:13:24:16.22.21|
Show InChI InChI=1S/C28H28N6O3/c29-13-31-26(30)32-16-4-5-19-17(10-16)18-11-28(36)21-9-15-3-6-20(35)24-22(15)27(28,25(37-24)23(18)33-19)7-8-34(21)12-14-1-2-14/h3-6,10,14,21,25,33,35-36H,1-2,7-9,11-12H2,(H3,30,31,32)/t21?,25-,27-,28+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Mutant factor of the compound against kappa[E297K] with Opioid receptor kappa 1 for binding affinity.


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087460
PNG
(17-cyclopropylmethyl-17'-cyclopropylmethyl-3'-hydr...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:4:5:44:8.14.13,46:27:38:30.36.35,25:26:38:30.36.35,18:19:44:8.14.13|
Show InChI InChI=1S/C41H45N3O6/c1-48-27-9-7-23-15-29-41(47)17-25-24-16-40(46)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-2-3-20)36(49-34)32(24)42-33(25)37-39(41,31(23)35(27)50-37)11-13-44(29)19-21-4-5-21/h6-9,20-21,28-29,36-37,42,45-47H,2-5,10-19H2,1H3/t28?,29?,36-,37-,38-,39-,40+,41+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
2.70n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against K303E Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50068379
PNG
(5'-[N-(N'-Cyano)guanidinyl]-17-cyclopropylmethyl-6...)
Show SMILES NC(Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NC#N |w:34.42,TLB:11:12:24:16.22.21,30:13:24:16.22.21|
Show InChI InChI=1S/C28H28N6O3/c29-13-31-26(30)32-16-4-5-19-17(10-16)18-11-28(36)21-9-15-3-6-20(35)24-22(15)27(28,25(37-24)23(18)33-19)7-8-34(21)12-14-1-2-14/h3-6,10,14,21,25,33,35-36H,1-2,7-9,11-12H2,(H3,30,31,32)/t21?,25-,27-,28+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Effect on binding affinity of mutational exchange of Lys303 in the Opioid receptor mu 1 in transiently expressed rat cos-7 cells activity expressed a...


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50396915
PNG
(CHEMBL2170781)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r|
Show InChI InChI=1S/C51H67N9O6/c1-31(2)25-41(46(54)61)56-48(63)42(26-32(3)4)58-51(66)45(29-36-30-55-40-23-11-10-21-38(36)40)60-49(64)43(27-33-15-6-5-7-16-33)59-50(65)44(57-47(62)39(53)22-12-13-24-52)28-35-19-14-18-34-17-8-9-20-37(34)35/h5-11,14-21,23,30-32,39,41-45,55H,12-13,22,24-29,52-53H2,1-4H3,(H2,54,61)(H,56,63)(H,57,62)(H,58,66)(H,59,65)(H,60,64)/t39-,41-,42-,43-,44+,45+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.90n/an/an/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay


J Med Chem 55: 7437-49 (2012)


Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50346950
PNG
(CHEMBL485832)
Show SMILES NC(N)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(C[C@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |r,wU:25.29,16.16,wD:24.26,10.10,(29.24,2.21,;28.18,1.09,;28.63,-.39,;26.68,1.44,;25.63,.32,;26.07,-1.15,;25.02,-2.26,;23.54,-1.9,;22.28,-2.76,;21.07,-1.84,;19.56,-2.11,;18.6,-3.32,;16.7,-2.72,;17.22,-1.24,;16.07,-.08,;16.57,1.37,;18.08,1.66,;17.24,3.55,;17.28,5.09,;18.63,5.82,;20.18,5.78,;19.45,7.14,;16.72,1.91,;17.37,-.05,;18.71,-.83,;19.2,.35,;19.7,1.82,;20.59,.77,;21.58,-.4,;23.11,-.44,;24.15,.67,;14.56,-.37,;14.05,-1.82,;15.05,-2.99,;14.52,-4.44,)|
Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20-,24+,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.20n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Effect on binding affinity of mutational exchange of Lys303 in the Opioid receptor mu 1 in transiently expressed rat cos-7 cells activity expressed a...


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50270276
PNG
(CHEMBL477121 | N-[1,4,8,11-Tetraazacyclotetradecan...)
Show SMILES C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C24H38N6/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
10n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphat...


J Biol Chem 282: 27354-65 (2007)


Article DOI: 10.1074/jbc.M704739200
BindingDB Entry DOI: 10.7270/Q26Q1X1Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
12.8n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against E297A mutant Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
12.9n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against E297K mutant Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Mutant factor of the compound against kappa[E297K] with Opioid receptor kappa 1 for binding affinity.


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50346950
PNG
(CHEMBL485832)
Show SMILES NC(N)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(C[C@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |r,wU:25.29,16.16,wD:24.26,10.10,(29.24,2.21,;28.18,1.09,;28.63,-.39,;26.68,1.44,;25.63,.32,;26.07,-1.15,;25.02,-2.26,;23.54,-1.9,;22.28,-2.76,;21.07,-1.84,;19.56,-2.11,;18.6,-3.32,;16.7,-2.72,;17.22,-1.24,;16.07,-.08,;16.57,1.37,;18.08,1.66,;17.24,3.55,;17.28,5.09,;18.63,5.82,;20.18,5.78,;19.45,7.14,;16.72,1.91,;17.37,-.05,;18.71,-.83,;19.2,.35,;19.7,1.82,;20.59,.77,;21.58,-.4,;23.11,-.44,;24.15,.67,;14.56,-.37,;14.05,-1.82,;15.05,-2.99,;14.52,-4.44,)|
Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20-,24+,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Mutant factor of the compound against kappa[E297K] with Opioid receptor kappa 1 for binding affinity.


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087460
PNG
(17-cyclopropylmethyl-17'-cyclopropylmethyl-3'-hydr...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:4:5:44:8.14.13,46:27:38:30.36.35,25:26:38:30.36.35,18:19:44:8.14.13|
Show InChI InChI=1S/C41H45N3O6/c1-48-27-9-7-23-15-29-41(47)17-25-24-16-40(46)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-2-3-20)36(49-34)32(24)42-33(25)37-39(41,31(23)35(27)50-37)11-13-44(29)19-21-4-5-21/h6-9,20-21,28-29,36-37,42,45-47H,2-5,10-19H2,1H3/t28?,29?,36-,37-,38-,39-,40+,41+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
17n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against E297A mutant Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50018790
PNG
(17,17'-Dimethyl-6,6',7,7'-tetradehydro-4,5:4',5'-d...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2[C@@H]3Oc4c6c(C[C@H]7N(C)CC[C@@]36[C@@]7(O)Cc12)ccc4O)ccc5O |TLB:39:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C34H35N3O6/c1-36-9-7-31-23-15-3-5-19(38)27(23)42-29(31)25-17(13-33(31,40)21(36)11-15)18-14-34(41)22-12-16-4-6-20(39)28-24(16)32(34,8-10-37(22)2)30(43-28)26(18)35-25/h3-6,21-22,29-30,35,38-41H,7-14H2,1-2H3/t21-,22?,29+,30+,31+,32+,33-,34-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
21.7n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50396901
PNG
(CHEMBL2170701)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r|
Show InChI InChI=1S/C50H68N10O6/c1-30(2)23-39(45(53)61)55-47(63)40(24-31(3)4)57-49(65)42(26-33-28-54-38-20-11-9-17-35(33)38)59-48(64)41(25-32-15-7-6-8-16-32)58-50(66)43(56-46(62)37(52)19-13-14-22-51)27-34-29-60(5)44-21-12-10-18-36(34)44/h6-12,15-18,20-21,28-31,37,39-43,54H,13-14,19,22-27,51-52H2,1-5H3,(H2,53,61)(H,55,63)(H,56,62)(H,57,65)(H,58,66)(H,59,64)/t37-,39-,40-,41-,42+,43+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22.1n/an/an/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay


J Med Chem 55: 7437-49 (2012)


Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087459
PNG
(17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...)
Show SMILES CC(=O)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:44:11:14:3.5.4,9:10:14:3.5.4,THB:29:43:20:38.36.37,25:24:20:38.36.37|
Show InChI InChI=1S/C38H39N3O7/c1-17(42)41-11-9-36-28-20-5-7-24(44)32(28)48-34(36)30-22(15-38(36,46)26(41)13-20)21-14-37(45)25-12-19-4-6-23(43)31-27(19)35(37,33(47-31)29(21)39-30)8-10-40(25)16-18-2-3-18/h4-7,18,25-26,33-34,39,43-46H,2-3,8-16H2,1H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
23.6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087460
PNG
(17-cyclopropylmethyl-17'-cyclopropylmethyl-3'-hydr...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:4:5:44:8.14.13,46:27:38:30.36.35,25:26:38:30.36.35,18:19:44:8.14.13|
Show InChI InChI=1S/C41H45N3O6/c1-48-27-9-7-23-15-29-41(47)17-25-24-16-40(46)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-2-3-20)36(49-34)32(24)42-33(25)37-39(41,31(23)35(27)50-37)11-13-44(29)19-21-4-5-21/h6-9,20-21,28-29,36-37,42,45-47H,2-5,10-19H2,1H3/t28?,29?,36-,37-,38-,39-,40+,41+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against E297K mutant Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50396896
PNG
(CHEMBL2170693)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r|
Show InChI InChI=1S/C49H65N9O6S/c1-29(2)22-38(44(52)59)54-46(61)39(23-30(3)4)56-49(64)42(26-33-28-65-43-20-11-9-17-35(33)43)58-47(62)40(24-31-14-6-5-7-15-31)57-48(63)41(55-45(60)36(51)18-12-13-21-50)25-32-27-53-37-19-10-8-16-34(32)37/h5-11,14-17,19-20,27-30,36,38-42,53H,12-13,18,21-26,50-51H2,1-4H3,(H2,52,59)(H,54,61)(H,55,60)(H,56,64)(H,57,63)(H,58,62)/t36-,38-,39-,40-,41+,42+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31.3n/an/an/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay


J Med Chem 55: 7437-49 (2012)


Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50396895
PNG
(CHEMBL2170694)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r|
Show InChI InChI=1S/C53H68N8O6/c1-33(2)28-43(48(56)62)57-50(64)44(29-34(3)4)59-53(67)47(32-39-23-15-21-37-19-9-11-25-41(37)39)61-51(65)45(30-35-16-6-5-7-17-35)60-52(66)46(58-49(63)42(55)26-12-13-27-54)31-38-22-14-20-36-18-8-10-24-40(36)38/h5-11,14-25,33-34,42-47H,12-13,26-32,54-55H2,1-4H3,(H2,56,62)(H,57,64)(H,58,63)(H,59,67)(H,60,66)(H,61,65)/t42-,43-,44-,45-,46+,47+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
34.9n/an/an/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay


J Med Chem 55: 7437-49 (2012)


Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087457
PNG
(17-Methyl-17'-cyclopropylmethyl-3'-methoxy-6,6',7,...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(C)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:43:27:35:30.33.32,4:5:41:8.14.13,25:26:35:30.33.32,18:19:41:8.14.13|
Show InChI InChI=1S/C38H41N3O6/c1-40-11-9-35-27-19-5-7-23(42)31(27)46-33(35)29-21(15-37(35,43)25(40)13-19)22-16-38(44)26-14-20-6-8-24(45-2)32-28(20)36(38,34(47-32)30(22)39-29)10-12-41(26)17-18-3-4-18/h5-8,18,25-26,33-34,39,42-44H,3-4,9-17H2,1-2H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
36.3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087456
PNG
(17-Methyl-17'-cyclopropylmethyl-3'-hydroxy-6,6',7,...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:41:9:12:1.3.2,7:8:12:1.3.2,THB:22:21:17:35.33.34,26:40:17:35.33.34|
Show InChI InChI=1S/C37H39N3O5/c1-39-10-8-35-22-14-20-21-15-37(43)26-13-19-5-7-25(42)32-28(19)36(37,9-11-40(26)16-17-2-3-17)34(45-32)30(21)38-29(20)33(35)44-31-24(41)6-4-18(27(31)35)12-23(22)39/h4-7,17,22-23,26,33-34,38,41-43H,2-3,8-16H2,1H3/t22-,23?,26?,33-,34-,35-,36-,37+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
39.6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against E297A mutant Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087456
PNG
(17-Methyl-17'-cyclopropylmethyl-3'-hydroxy-6,6',7,...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:41:9:12:1.3.2,7:8:12:1.3.2,THB:22:21:17:35.33.34,26:40:17:35.33.34|
Show InChI InChI=1S/C37H39N3O5/c1-39-10-8-35-22-14-20-21-15-37(43)26-13-19-5-7-25(42)32-28(19)36(37,9-11-40(26)16-17-2-3-17)34(45-32)30(21)38-29(20)33(35)44-31-24(41)6-4-18(27(31)35)12-23(22)39/h4-7,17,22-23,26,33-34,38,41-43H,2-3,8-16H2,1H3/t22-,23?,26?,33-,34-,35-,36-,37+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
39.9n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against E297K mutant Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087456
PNG
(17-Methyl-17'-cyclopropylmethyl-3'-hydroxy-6,6',7,...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:41:9:12:1.3.2,7:8:12:1.3.2,THB:22:21:17:35.33.34,26:40:17:35.33.34|
Show InChI InChI=1S/C37H39N3O5/c1-39-10-8-35-22-14-20-21-15-37(43)26-13-19-5-7-25(42)32-28(19)36(37,9-11-40(26)16-17-2-3-17)34(45-32)30(21)38-29(20)33(35)44-31-24(41)6-4-18(27(31)35)12-23(22)39/h4-7,17,22-23,26,33-34,38,41-43H,2-3,8-16H2,1H3/t22-,23?,26?,33-,34-,35-,36-,37+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
40n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50018790
PNG
(17,17'-Dimethyl-6,6',7,7'-tetradehydro-4,5:4',5'-d...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2[C@@H]3Oc4c6c(C[C@H]7N(C)CC[C@@]36[C@@]7(O)Cc12)ccc4O)ccc5O |TLB:39:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C34H35N3O6/c1-36-9-7-31-23-15-3-5-19(38)27(23)42-29(31)25-17(13-33(31,40)21(36)11-15)18-14-34(41)22-12-16-4-6-20(39)28-24(16)32(34,8-10-37(22)2)30(43-28)26(18)35-25/h3-6,21-22,29-30,35,38-41H,7-14H2,1-2H3/t21-,22?,29+,30+,31+,32+,33-,34-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
41.7n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against K303E Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087459
PNG
(17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...)
Show SMILES CC(=O)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:44:11:14:3.5.4,9:10:14:3.5.4,THB:29:43:20:38.36.37,25:24:20:38.36.37|
Show InChI InChI=1S/C38H39N3O7/c1-17(42)41-11-9-36-28-20-5-7-24(44)32(28)48-34(36)30-22(15-38(36,46)26(41)13-20)21-14-37(45)25-12-19-4-6-23(43)31-27(19)35(37,33(47-31)29(21)39-30)8-10-40(25)16-18-2-3-18/h4-7,18,25-26,33-34,39,43-46H,2-3,8-16H2,1H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
42n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against K303E Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087457
PNG
(17-Methyl-17'-cyclopropylmethyl-3'-methoxy-6,6',7,...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(C)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:43:27:35:30.33.32,4:5:41:8.14.13,25:26:35:30.33.32,18:19:41:8.14.13|
Show InChI InChI=1S/C38H41N3O6/c1-40-11-9-35-27-19-5-7-23(42)31(27)46-33(35)29-21(15-37(35,43)25(40)13-19)22-16-38(44)26-14-20-6-8-24(45-2)32-28(20)36(38,34(47-32)30(22)39-29)10-12-41(26)17-18-3-4-18/h5-8,18,25-26,33-34,39,42-44H,3-4,9-17H2,1-2H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
52n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against K303E Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
70n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
102n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Effect on binding affinity of mutational exchange of Lys303 in the Opioid receptor mu 1 in transiently expressed rat cos-7 cells activity expressed a...


J Med Chem 41: 4911-4 (1999)


Article DOI: 10.1021/jm9805182
BindingDB Entry DOI: 10.7270/Q2K9387K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087459
PNG
(17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...)
Show SMILES CC(=O)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:44:11:14:3.5.4,9:10:14:3.5.4,THB:29:43:20:38.36.37,25:24:20:38.36.37|
Show InChI InChI=1S/C38H39N3O7/c1-17(42)41-11-9-36-28-20-5-7-24(44)32(28)48-34(36)30-22(15-38(36,46)26(41)13-20)21-14-37(45)25-12-19-4-6-23(43)31-27(19)35(37,33(47-31)29(21)39-30)8-10-40(25)16-18-2-3-18/h4-7,18,25-26,33-34,39,43-46H,2-3,8-16H2,1H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
102n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087459
PNG
(17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...)
Show SMILES CC(=O)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:44:11:14:3.5.4,9:10:14:3.5.4,THB:29:43:20:38.36.37,25:24:20:38.36.37|
Show InChI InChI=1S/C38H39N3O7/c1-17(42)41-11-9-36-28-20-5-7-24(44)32(28)48-34(36)30-22(15-38(36,46)26(41)13-20)21-14-37(45)25-12-19-4-6-23(43)31-27(19)35(37,33(47-31)29(21)39-30)8-10-40(25)16-18-2-3-18/h4-7,18,25-26,33-34,39,43-46H,2-3,8-16H2,1H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
104n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against E297A mutant Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087459
PNG
(17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...)
Show SMILES CC(=O)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:44:11:14:3.5.4,9:10:14:3.5.4,THB:29:43:20:38.36.37,25:24:20:38.36.37|
Show InChI InChI=1S/C38H39N3O7/c1-17(42)41-11-9-36-28-20-5-7-24(44)32(28)48-34(36)30-22(15-38(36,46)26(41)13-20)21-14-37(45)25-12-19-4-6-23(43)31-27(19)35(37,33(47-31)29(21)39-30)8-10-40(25)16-18-2-3-18/h4-7,18,25-26,33-34,39,43-46H,2-3,8-16H2,1H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
104n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against E297K mutant Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50270276
PNG
(CHEMBL477121 | N-[1,4,8,11-Tetraazacyclotetradecan...)
Show SMILES C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C24H38N6/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
110n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]12G5 antibody from human wild type CXCR4 expressed in COS7 cells


J Biol Chem 282: 27354-65 (2007)


Article DOI: 10.1074/jbc.M704739200
BindingDB Entry DOI: 10.7270/Q26Q1X1Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087457
PNG
(17-Methyl-17'-cyclopropylmethyl-3'-methoxy-6,6',7,...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(C)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:43:27:35:30.33.32,4:5:41:8.14.13,25:26:35:30.33.32,18:19:41:8.14.13|
Show InChI InChI=1S/C38H41N3O6/c1-40-11-9-35-27-19-5-7-23(42)31(27)46-33(35)29-21(15-37(35,43)25(40)13-19)22-16-38(44)26-14-20-6-8-24(45-2)32-28(20)36(38,34(47-32)30(22)39-29)10-12-41(26)17-18-3-4-18/h5-8,18,25-26,33-34,39,42-44H,3-4,9-17H2,1-2H3/t25?,26?,33-,34-,35-,36-,37+,38+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
165n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor mu 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087458
PNG
(17-Cyclopropylmethyl-17'-guanidinyl-6,6',7,7'-tetr...)
Show SMILES NC(=N)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:44:11:14:3.5.4,9:10:14:3.5.4,THB:29:43:20:38.36.37,25:24:20:38.36.37|
Show InChI InChI=1S/C37H39N5O6/c38-33(39)42-10-8-35-26-18-4-6-22(44)30(26)48-32(35)28-20(14-37(35,46)24(42)12-18)19-13-36(45)23-11-17-3-5-21(43)29-25(17)34(36,31(47-29)27(19)40-28)7-9-41(23)15-16-1-2-16/h3-6,16,23-24,31-32,40,43-46H,1-2,7-15H2,(H3,38,39)/t23?,24?,31-,32-,34-,35-,36+,37+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
189n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity using [3H]diprenorphine as the radioligand against E297K mutant Opioid receptor kappa 1 in COS-7 cells


J Med Chem 43: 1573-6 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3T23
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 327 total )  |  Next  |  Last  >>
Jump to: