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BDBM50140897 6-(4-chlorophenyl)-19-cyclopropylmethyl-(2R,10R)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaen-13-yl methyl ether

SMILES: COc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1

InChI Key: InChIKey=YZZSCHIRBXQHLG-VPUFRGIXSA-N

Data: 3 KI

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 = 50140897   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50140897
PNG
(6-(4-chlorophenyl)-19-cyclopropylmethyl-(2R,10R)-1...)
Show SMILES COc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C30H29ClN2O2/c1-34-25-9-6-19-14-24-23-13-20-12-21(18-4-7-22(31)8-5-18)15-32-27(20)29-30(23,26(19)28(25)35-29)10-11-33(24)16-17-2-3-17/h4-9,12,15,17,23-24,29H,2-3,10-11,13-14,16H2,1H3/t23-,24?,29-,30-/m0/s1
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B.MOAD
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PC cid
PC sid
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Similars

Article
PubMed
41n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at opioid receptor delta 1 by displacement of [3H]DADLE in rat brain membrane


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50140897
PNG
(6-(4-chlorophenyl)-19-cyclopropylmethyl-(2R,10R)-1...)
Show SMILES COc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C30H29ClN2O2/c1-34-25-9-6-19-14-24-23-13-20-12-21(18-4-7-22(31)8-5-18)15-32-27(20)29-30(23,26(19)28(25)35-29)10-11-33(24)16-17-2-3-17/h4-9,12,15,17,23-24,29H,2-3,10-11,13-14,16H2,1H3/t23-,24?,29-,30-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
539n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 by displacement of [3H]U-69593 in guinea pig brain membranes


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50140897
PNG
(6-(4-chlorophenyl)-19-cyclopropylmethyl-(2R,10R)-1...)
Show SMILES COc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C30H29ClN2O2/c1-34-25-9-6-19-14-24-23-13-20-12-21(18-4-7-22(31)8-5-18)15-32-27(20)29-30(23,26(19)28(25)35-29)10-11-33(24)16-17-2-3-17/h4-9,12,15,17,23-24,29H,2-3,10-11,13-14,16H2,1H3/t23-,24?,29-,30-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.97E+3n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 by displacement of [3H]DAMGO in rat brain membrane


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair