BindingDB logo
myBDB logout

null

SMILES: C[C@H]1C2Cc3cc(N)c(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O

InChI Key: InChIKey=YPOOBCHYMBAZRM-LFVLMCKFSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50261179   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261179
PNG
(CHEMBL495462 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3cc(N)c(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
Show InChI InChI=1S/C19H27N3O/c1-11-17-8-13-7-16(20)14(18(21)23)9-15(13)19(11,2)5-6-22(17)10-12-3-4-12/h7,9,11-12,17H,3-6,8,10,20H2,1-2H3,(H2,21,23)/t11-,17?,19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
BindingDB Entry DOI: 10.7270/Q23X87JZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261179
PNG
(CHEMBL495462 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3cc(N)c(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
Show InChI InChI=1S/C19H27N3O/c1-11-17-8-13-7-16(20)14(18(21)23)9-15(13)19(11,2)5-6-22(17)10-12-3-4-12/h7,9,11-12,17H,3-6,8,10,20H2,1-2H3,(H2,21,23)/t11-,17?,19-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
88n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
BindingDB Entry DOI: 10.7270/Q23X87JZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261179
PNG
(CHEMBL495462 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3cc(N)c(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
Show InChI InChI=1S/C19H27N3O/c1-11-17-8-13-7-16(20)14(18(21)23)9-15(13)19(11,2)5-6-22(17)10-12-3-4-12/h7,9,11-12,17H,3-6,8,10,20H2,1-2H3,(H2,21,23)/t11-,17?,19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
BindingDB Entry DOI: 10.7270/Q23X87JZ
More data for this
Ligand-Target Pair