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Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'alvarez' and Initial = 'j'   
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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50431839
PNG
(CHEMBL2347236)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccnc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-29(26)32(22,2)14-17-35(30)21-24-5-6-24)31(36)34-16-13-23-7-9-25(10-8-23)28-4-3-15-33-20-28/h3-4,7-12,15,18,20,22,24,30H,5-6,13-14,16-17,19,21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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0.0640n/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 cell membrane after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50431840
PNG
(CHEMBL2347235)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccncc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-27-9-10-28(19-29(27)32(22,2)14-18-35(30)21-24-3-4-24)31(36)34-17-11-23-5-7-25(8-6-23)26-12-15-33-16-13-26/h5-10,12-13,15-16,19,22,24,30H,3-4,11,14,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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0.0650n/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 cell membrane after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50431838
PNG
(CHEMBL2347237)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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0.330n/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 cell membrane after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50431837
PNG
(CHEMBL2347238)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(nc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-28(26)32(22,2)15-17-35(30)21-24-8-9-24)31(36)33-16-14-23-10-13-29(34-20-23)25-6-4-3-5-7-25/h3-7,10-13,18,20,22,24,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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0.610n/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 cell membrane after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50431841
PNG
(CHEMBL2347239)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cn1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-25-10-11-26(18-29(25)32(22,2)15-17-35(30)21-23-8-9-23)31(36)33-16-14-28-13-12-27(20-34-28)24-6-4-3-5-7-24/h3-7,10-13,18,20,22-23,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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0.820n/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 cell membrane after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50431841
PNG
(CHEMBL2347239)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cn1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-25-10-11-26(18-29(25)32(22,2)15-17-35(30)21-23-8-9-23)31(36)33-16-14-28-13-12-27(20-34-28)24-6-4-3-5-7-24/h3-7,10-13,18,20,22-23,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50431840
PNG
(CHEMBL2347235)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccncc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-27-9-10-28(19-29(27)32(22,2)14-18-35(30)21-24-3-4-24)31(36)34-17-11-23-5-7-25(8-6-23)26-12-15-33-16-13-26/h5-10,12-13,15-16,19,22,24,30H,3-4,11,14,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50431839
PNG
(CHEMBL2347236)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccnc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-29(26)32(22,2)14-17-35(30)21-24-5-6-24)31(36)34-16-13-23-7-9-25(10-8-23)28-4-3-15-33-20-28/h3-4,7-12,15,18,20,22,24,30H,5-6,13-14,16-17,19,21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50431837
PNG
(CHEMBL2347238)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(nc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-28(26)32(22,2)15-17-35(30)21-24-8-9-24)31(36)33-16-14-23-10-13-29(34-20-23)25-6-4-3-5-7-25/h3-7,10-13,18,20,22,24,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50431838
PNG
(CHEMBL2347237)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50431841
PNG
(CHEMBL2347239)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cn1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-25-10-11-26(18-29(25)32(22,2)15-17-35(30)21-23-8-9-23)31(36)33-16-14-28-13-12-27(20-34-28)24-6-4-3-5-7-24/h3-7,10-13,18,20,22-23,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human delta opioid receptor expressed in CHO cell membrane after 3 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50431840
PNG
(CHEMBL2347235)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccncc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-27-9-10-28(19-29(27)32(22,2)14-18-35(30)21-24-3-4-24)31(36)34-17-11-23-5-7-25(8-6-23)26-12-15-33-16-13-26/h5-10,12-13,15-16,19,22,24,30H,3-4,11,14,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human delta opioid receptor expressed in CHO cell membrane after 3 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50431839
PNG
(CHEMBL2347236)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccnc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-29(26)32(22,2)14-17-35(30)21-24-5-6-24)31(36)34-16-13-23-7-9-25(10-8-23)28-4-3-15-33-20-28/h3-4,7-12,15,18,20,22,24,30H,5-6,13-14,16-17,19,21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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8.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human delta opioid receptor expressed in CHO cell membrane after 3 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50431838
PNG
(CHEMBL2347237)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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9.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human delta opioid receptor expressed in CHO cell membrane after 3 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50431837
PNG
(CHEMBL2347238)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(nc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-28(26)32(22,2)15-17-35(30)21-24-8-9-24)31(36)33-16-14-23-10-13-29(34-20-23)25-6-4-3-5-7-25/h3-7,10-13,18,20,22,24,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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14n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human delta opioid receptor expressed in CHO cell membrane after 3 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50445988
PNG
(CHEMBL3103124)
Show SMILES Oc1cc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2cc1O
Show InChI InChI=1S/C22H24N2O3/c25-20-11-17-18(13-23-19(17)12-21(20)26)22(27)14-24-8-6-16(7-9-24)10-15-4-2-1-3-5-15/h1-5,11-13,16,23,25-26H,6-10,14H2
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n/an/a 5.5n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding af...


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50445989
PNG
(CHEMBL3103126)
Show SMILES Oc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H23FN2O2/c23-17-3-1-15(2-4-17)11-16-7-9-25(10-8-16)14-22(27)20-13-24-21-12-18(26)5-6-19(20)21/h1-6,12-13,16,24,26H,7-11,14H2
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50445990
PNG
(CHEMBL3103129)
Show SMILES CS(=O)(=O)Nc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H26FN3O3S/c1-31(29,30)26-19-6-7-20-21(14-25-22(20)13-19)23(28)15-27-10-8-17(9-11-27)12-16-2-4-18(24)5-3-16/h2-7,13-14,17,25-26H,8-12,15H2,1H3
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50445991
PNG
(CHEMBL3103134)
Show SMILES CS(=O)(=O)Nc1ccc2c(c[nH]c2c1)C(=O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H24FN3O4S/c1-32(30,31)26-18-6-7-19-20(14-25-21(19)13-18)22(28)23(29)27-10-8-16(9-11-27)12-15-2-4-17(24)5-3-15/h2-7,13-14,16,25-26H,8-12H2,1H3
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50445992
PNG
(CHEMBL3102861)
Show SMILES Oc1ccc2c(c[nH]c2c1)C(=O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H21FN2O3/c23-16-3-1-14(2-4-16)11-15-7-9-25(10-8-15)22(28)21(27)19-13-24-20-12-17(26)5-6-18(19)20/h1-6,12-13,15,24,26H,7-11H2
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50083351
PNG
((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...)
Show SMILES CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50445993
PNG
(CHEMBL3103127)
Show SMILES Oc1cc2[nH]cc(C(=O)CN3CCC(Cc4ccc(F)cc4)CC3)c2cc1O
Show InChI InChI=1S/C22H23FN2O3/c23-16-3-1-14(2-4-16)9-15-5-7-25(8-6-15)13-22(28)18-12-24-19-11-21(27)20(26)10-17(18)19/h1-4,10-12,15,24,26-27H,5-9,13H2
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50445987
PNG
(CHEMBL3103125)
Show SMILES Oc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccc(F)cc4)CC3)c2c1
Show InChI InChI=1S/C22H23FN2O2/c23-17-3-1-15(2-4-17)11-16-7-9-25(10-8-16)14-22(27)20-13-24-21-6-5-18(26)12-19(20)21/h1-6,12-13,16,24,26H,7-11,14H2
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50431841
PNG
(CHEMBL2347239)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cn1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-25-10-11-26(18-29(25)32(22,2)15-17-35(30)21-23-8-9-23)31(36)33-16-14-28-13-12-27(20-34-28)24-6-4-3-5-7-24/h3-7,10-13,18,20,22-23,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding af...


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50431839
PNG
(CHEMBL2347236)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccnc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-29(26)32(22,2)14-17-35(30)21-24-5-6-24)31(36)34-16-13-23-7-9-25(10-8-23)28-4-3-15-33-20-28/h3-4,7-12,15,18,20,22,24,30H,5-6,13-14,16-17,19,21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding af...


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50431840
PNG
(CHEMBL2347235)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccncc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-27-9-10-28(19-29(27)32(22,2)14-18-35(30)21-24-3-4-24)31(36)34-17-11-23-5-7-25(8-6-23)26-12-15-33-16-13-26/h5-10,12-13,15-16,19,22,24,30H,3-4,11,14,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding af...


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50431838
PNG
(CHEMBL2347237)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding af...


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194264
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31?,33-/m0/s1
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Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 6...


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50431837
PNG
(CHEMBL2347238)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(nc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-28(26)32(22,2)15-17-35(30)21-24-8-9-24)31(36)33-16-14-23-10-13-29(34-20-23)25-6-4-3-5-7-25/h3-7,10-13,18,20,22,24,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding af...


Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50136722
PNG
(4-(1-Benzhydryl-5-bromo-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc12)C(O)=O
Show InChI InChI=1S/C30H24BrNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in human neutrophils PMN assay


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50136724
PNG
(4-(1-Benzhydryl-5-methyl-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C)cc12)C(O)=O
Show InChI InChI=1S/C31H27NO3/c1-21-13-16-28-27(17-21)26(18-24-14-15-25(31(33)34)19-29(24)35-2)20-32(28)30(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-17,19-20,30H,18H2,1-2H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in human neutrophils PMN assay


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50136727
PNG
(4-(1-Benzhydryl-5-nitro-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C30H24N2O5/c1-37-28-17-23(30(33)34)13-12-22(28)16-24-19-31(27-15-14-25(32(35)36)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against cystolic phospholipase A2 alpha receptor (c-PLA2 alpha) using coumarin assay


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50136721
PNG
(4-(1-Benzhydryl-5-chloro-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12)C(O)=O
Show InChI InChI=1S/C30H24ClNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against cystolic phospholipase A2 alpha receptor (c-PLA2 alpha) using coumarin assay


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50136721
PNG
(4-(1-Benzhydryl-5-chloro-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12)C(O)=O
Show InChI InChI=1S/C30H24ClNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in human neutrophils PMN assay


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50136727
PNG
(4-(1-Benzhydryl-5-nitro-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C30H24N2O5/c1-37-28-17-23(30(33)34)13-12-22(28)16-24-19-31(27-15-14-25(32(35)36)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in mast cell line MC-9 assay


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50136722
PNG
(4-(1-Benzhydryl-5-bromo-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc12)C(O)=O
Show InChI InChI=1S/C30H24BrNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against cystolic phospholipase A2 alpha receptor (c-PLA2 alpha) using coumarin assay


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50438383
PNG
(CHEMBL2413823)
Show SMILES Oc1ccc2[nH]cc(C(=O)CN3CCC(CC3)NC(=O)c3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C22H23N3O5/c26-15-2-3-18-16(10-15)17(11-23-18)21(29)12-25-7-5-14(6-8-25)24-22(30)13-1-4-19(27)20(28)9-13/h1-4,9-11,14,23,26-28H,5-8,12H2,(H,24,30)
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]-ifenprodil from Wistar rat cerebral cortex GluN2B after 120 mins


Bioorg Med Chem 21: 4575-80 (2013)


Article DOI: 10.1016/j.bmc.2013.05.044
BindingDB Entry DOI: 10.7270/Q2JD4Z6H
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50136723
PNG
(4-(1-Benzhydryl-5-cyano-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)C#N)C(O)=O
Show InChI InChI=1S/C31H24N2O3/c1-36-29-18-25(31(34)35)14-13-24(29)17-26-20-33(28-15-12-21(19-32)16-27(26)28)30(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,18,20,30H,17H2,1H3,(H,34,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against cystolic phospholipase A2 alpha receptor (c-PLA2 alpha) using coumarin assay


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50136730
PNG
(4-((1-benzhydryl-6-chloro-1H-indol-3-yl)methyl)-3-...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C30H24ClNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-18-25(31)14-15-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50136723
PNG
(4-(1-Benzhydryl-5-cyano-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)C#N)C(O)=O
Show InChI InChI=1S/C31H24N2O3/c1-36-29-18-25(31(34)35)14-13-24(29)17-26-20-33(28-15-12-21(19-32)16-27(26)28)30(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,18,20,30H,17H2,1H3,(H,34,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in human neutrophils PMN assay


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50136724
PNG
(4-(1-Benzhydryl-5-methyl-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C)cc12)C(O)=O
Show InChI InChI=1S/C31H27NO3/c1-21-13-16-28-27(17-21)26(18-24-14-15-25(31(33)34)19-29(24)35-2)20-32(28)30(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-17,19-20,30H,18H2,1-2H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in mast cell line MC-9 assay


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50136724
PNG
(4-(1-Benzhydryl-5-methyl-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C)cc12)C(O)=O
Show InChI InChI=1S/C31H27NO3/c1-21-13-16-28-27(17-21)26(18-24-14-15-25(31(33)34)19-29(24)35-2)20-32(28)30(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-17,19-20,30H,18H2,1-2H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against cystolic phospholipase A2 alpha receptor (c-PLA2 alpha) using coumarin assay


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50136740
PNG
(4-(1-Benzhydryl-5-fluoro-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(F)cc12)C(O)=O
Show InChI InChI=1S/C30H24FNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50136722
PNG
(4-(1-Benzhydryl-5-bromo-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc12)C(O)=O
Show InChI InChI=1S/C30H24BrNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in mast cell line MC-9 assay


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50136721
PNG
(4-(1-Benzhydryl-5-chloro-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12)C(O)=O
Show InChI InChI=1S/C30H24ClNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in human neutrophils PMN assay


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50136739
PNG
(4-(1-Benzhydryl-5-methoxy-1H-indol-3-ylmethyl)-3-m...)
Show SMILES COc1ccc2n(cc(Cc3ccc(cc3OC)C(O)=O)c2c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H27NO4/c1-35-26-15-16-28-27(19-26)25(17-23-13-14-24(31(33)34)18-29(23)36-2)20-32(28)30(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,18-20,30H,17H2,1-2H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50136732
PNG
(4-(1-Benzhydryl-5-methanesulfonyl-1H-indol-3-ylmet...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)S(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C31H27NO5S/c1-37-29-18-24(31(33)34)14-13-23(29)17-25-20-32(28-16-15-26(19-27(25)28)38(2,35)36)30(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,18-20,30H,17H2,1-2H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50136723
PNG
(4-(1-Benzhydryl-5-cyano-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)C#N)C(O)=O
Show InChI InChI=1S/C31H24N2O3/c1-36-29-18-25(31(34)35)14-13-24(29)17-26-20-33(28-15-12-21(19-32)16-27(26)28)30(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,18,20,30H,17H2,1H3,(H,34,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in human neutrophils PMN assay


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50136741
PNG
(4-(1-Benzhydryl-7-chloro-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2c(Cl)cccc12)C(O)=O
Show InChI InChI=1S/C30H24ClNO3/c1-35-27-18-23(30(33)34)16-15-22(27)17-24-19-32(29-25(24)13-8-14-26(29)31)28(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-16,18-19,28H,17H2,1H3,(H,33,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.


Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
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