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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50092998   
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


(Cavia porcellus (domestic guinea pig))
BDBM50092998
PNG
(CHEMBL72786 | Derivative of Natrindole)
Show SMILES CCCCC(=N)NCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:22:21:29:17.18.19,16:17:29:21.27.26,30:29:17.18.19:21.27.26|
Show InChI InChI=1S/C32H38N4O3/c1-2-3-4-26(33)34-16-19-7-9-23-21(13-19)22-15-32(38)25-14-20-8-10-24(37)29-27(20)31(32,30(39-29)28(22)35-23)11-12-36(25)17-18-5-6-18/h7-10,13,18,25,30,35,37-38H,2-6,11-12,14-17H2,1H3,(H2,33,34)/t25?,30?,31?,32-/m1/s1
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PubMed
0.0610n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity to CHO cells expressing cloned human Opioid receptor kappa 1 by displacing [3H]U-69593


Bioorg Med Chem Lett 10: 2259-61 (2001)


BindingDB Entry DOI: 10.7270/Q2WS8TRF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50092998
PNG
(CHEMBL72786 | Derivative of Natrindole)
Show SMILES CCCCC(=N)NCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:22:21:29:17.18.19,16:17:29:21.27.26,30:29:17.18.19:21.27.26|
Show InChI InChI=1S/C32H38N4O3/c1-2-3-4-26(33)34-16-19-7-9-23-21(13-19)22-15-32(38)25-14-20-8-10-24(37)29-27(20)31(32,30(39-29)28(22)35-23)11-12-36(25)17-18-5-6-18/h7-10,13,18,25,30,35,37-38H,2-6,11-12,14-17H2,1H3,(H2,33,34)/t25?,30?,31?,32-/m1/s1
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PC sid
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PubMed
3.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Opioid receptor mu 1 of guinea pig brain membrane by displacing [3H]DAMGO


Bioorg Med Chem Lett 10: 2259-61 (2001)


BindingDB Entry DOI: 10.7270/Q2WS8TRF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50092998
PNG
(CHEMBL72786 | Derivative of Natrindole)
Show SMILES CCCCC(=N)NCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:22:21:29:17.18.19,16:17:29:21.27.26,30:29:17.18.19:21.27.26|
Show InChI InChI=1S/C32H38N4O3/c1-2-3-4-26(33)34-16-19-7-9-23-21(13-19)22-15-32(38)25-14-20-8-10-24(37)29-27(20)31(32,30(39-29)28(22)35-23)11-12-36(25)17-18-5-6-18/h7-10,13,18,25,30,35,37-38H,2-6,11-12,14-17H2,1H3,(H2,33,34)/t25?,30?,31?,32-/m1/s1
PDB

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PC cid
PC sid
UniChem

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PubMed
5.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity to CHO cells expressing cloned human Opioid receptor delta 1 by displacement of [3H]-Cl-DPDPE


Bioorg Med Chem Lett 10: 2259-61 (2001)


BindingDB Entry DOI: 10.7270/Q2WS8TRF
More data for this
Ligand-Target Pair