Found 3 hits for monomerid = 50136110 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50136110
(7-butylamino(butylimino)methylamino-22-cyclopropyl...)Show SMILES CCCCNC(NCCCC)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |wU:33.37,wD:32.34,18.18,TLB:20:21:33:25.31.30,39:22:33:25.31.30,(11.8,-7.29,;11.85,-5.76,;10.54,-4.94,;10.59,-3.4,;9.28,-2.59,;9.35,-1.06,;10.7,-.33,;12.01,-1.14,;13.36,-.4,;14.67,-1.24,;16.02,-.51,;8.04,-.24,;6.81,-1.17,;7.01,-2.71,;5.79,-3.64,;4.37,-3.04,;2.98,-3.71,;1.92,-2.57,;.37,-2.59,;-1.14,-3.45,;-2.7,-2.68,;-1.95,-1.33,;-2.77,-.01,;-2.03,1.34,;-.48,1.39,;.26,2.74,;1.24,3.91,;.72,5.35,;1.01,6.87,;-.43,6.35,;-1.13,1.88,;-1.2,.05,;-.42,-1.29,;.33,.07,;1.41,1.17,;1.87,.11,;2.66,-1.22,;4.18,-1.51,;5.39,-.58,;-4.29,-.05,;-5.03,-1.41,;-4.23,-2.71,;-4.98,-4.06,)| Show InChI InChI=1S/C35H45N5O3/c1-3-5-14-36-33(37-15-6-4-2)38-23-10-11-26-24(18-23)25-19-35(42)28-17-22-9-12-27(41)31-29(22)34(35,32(43-31)30(25)39-26)13-16-40(28)20-21-7-8-21/h9-12,18,21,28,32,39,41-42H,3-8,13-17,19-20H2,1-2H3,(H2,36,37,38)/t28?,32-,34-,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand |
J Med Chem 46: 5505-11 (2003)
Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50136110
(7-butylamino(butylimino)methylamino-22-cyclopropyl...)Show SMILES CCCCNC(NCCCC)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |wU:33.37,wD:32.34,18.18,TLB:20:21:33:25.31.30,39:22:33:25.31.30,(11.8,-7.29,;11.85,-5.76,;10.54,-4.94,;10.59,-3.4,;9.28,-2.59,;9.35,-1.06,;10.7,-.33,;12.01,-1.14,;13.36,-.4,;14.67,-1.24,;16.02,-.51,;8.04,-.24,;6.81,-1.17,;7.01,-2.71,;5.79,-3.64,;4.37,-3.04,;2.98,-3.71,;1.92,-2.57,;.37,-2.59,;-1.14,-3.45,;-2.7,-2.68,;-1.95,-1.33,;-2.77,-.01,;-2.03,1.34,;-.48,1.39,;.26,2.74,;1.24,3.91,;.72,5.35,;1.01,6.87,;-.43,6.35,;-1.13,1.88,;-1.2,.05,;-.42,-1.29,;.33,.07,;1.41,1.17,;1.87,.11,;2.66,-1.22,;4.18,-1.51,;5.39,-.58,;-4.29,-.05,;-5.03,-1.41,;-4.23,-2.71,;-4.98,-4.06,)| Show InChI InChI=1S/C35H45N5O3/c1-3-5-14-36-33(37-15-6-4-2)38-23-10-11-26-24(18-23)25-19-35(42)28-17-22-9-12-27(41)31-29(22)34(35,32(43-31)30(25)39-26)13-16-40(28)20-21-7-8-21/h9-12,18,21,28,32,39,41-42H,3-8,13-17,19-20H2,1-2H3,(H2,36,37,38)/t28?,32-,34-,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand |
J Med Chem 46: 5505-11 (2003)
Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50136110
(7-butylamino(butylimino)methylamino-22-cyclopropyl...)Show SMILES CCCCNC(NCCCC)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |wU:33.37,wD:32.34,18.18,TLB:20:21:33:25.31.30,39:22:33:25.31.30,(11.8,-7.29,;11.85,-5.76,;10.54,-4.94,;10.59,-3.4,;9.28,-2.59,;9.35,-1.06,;10.7,-.33,;12.01,-1.14,;13.36,-.4,;14.67,-1.24,;16.02,-.51,;8.04,-.24,;6.81,-1.17,;7.01,-2.71,;5.79,-3.64,;4.37,-3.04,;2.98,-3.71,;1.92,-2.57,;.37,-2.59,;-1.14,-3.45,;-2.7,-2.68,;-1.95,-1.33,;-2.77,-.01,;-2.03,1.34,;-.48,1.39,;.26,2.74,;1.24,3.91,;.72,5.35,;1.01,6.87,;-.43,6.35,;-1.13,1.88,;-1.2,.05,;-.42,-1.29,;.33,.07,;1.41,1.17,;1.87,.11,;2.66,-1.22,;4.18,-1.51,;5.39,-.58,;-4.29,-.05,;-5.03,-1.41,;-4.23,-2.71,;-4.98,-4.06,)| Show InChI InChI=1S/C35H45N5O3/c1-3-5-14-36-33(37-15-6-4-2)38-23-10-11-26-24(18-23)25-19-35(42)28-17-22-9-12-27(41)31-29(22)34(35,32(43-31)30(25)39-26)13-16-40(28)20-21-7-8-21/h9-12,18,21,28,32,39,41-42H,3-8,13-17,19-20H2,1-2H3,(H2,36,37,38)/t28?,32-,34-,35+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand |
J Med Chem 46: 5505-11 (2003)
Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X |
More data for this
Ligand-Target Pair | |
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