BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 785 hits with Last Name = 'vu' and Initial = 'k'   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50076428
PNG
(4-Fluoro-cyclohexanecarboxylic acid {2-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCC(F)CC2)c2ccccn2)CC1 |(2.32,-7.79,;3.65,-8.56,;3.63,-10.1,;2.31,-10.86,;2.31,-12.41,;3.63,-13.18,;4.99,-12.41,;4.99,-10.87,;6.3,-10.12,;7.65,-10.89,;8.99,-10.12,;8.96,-8.58,;10.31,-7.82,;11.65,-8.58,;12.96,-7.82,;14.31,-8.58,;14.31,-10.13,;15.63,-7.82,;16.96,-8.58,;18.94,-8.27,;19.49,-9.96,;21.03,-9.96,;18.27,-9.22,;16.18,-9.51,;12.96,-6.27,;11.65,-5.51,;11.65,-3.96,;12.96,-3.19,;14.31,-3.96,;14.31,-5.51,;7.65,-7.81,;6.32,-8.58,)|
Show InChI InChI=1S/C25H33FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-8,13,20-21H,9-12,14-19H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.247n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor by Panlabs assay

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50583877
PNG
(CHEMBL5070261)
Show SMILES OC1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,(84.69,-14.49,;83.74,-13.39,;84.35,-12.06,;83.71,-10.78,;84.49,-9.44,;83.46,-8.29,;82.05,-8.91,;80.71,-8.14,;79.38,-8.9,;78.04,-8.14,;78.04,-6.6,;79.38,-5.81,;80.71,-6.6,;76.69,-5.82,;75.36,-6.6,;74.02,-5.82,;72.68,-6.6,;72.68,-8.15,;74.04,-8.92,;75.37,-8.14,;82.19,-10.46,;81.05,-11.4,;79.72,-10.7,;78.44,-11.49,;78.5,-13,;77.18,-13.83,;79.83,-13.71,;81.1,-12.91,;82.34,-13.81,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50583878
PNG
(CHEMBL5074709)
Show SMILES O[C@@H]1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,1.0,wD:10.13,(13.29,-32.25,;12.34,-31.15,;12.94,-29.82,;12.31,-28.53,;13.09,-27.19,;12.06,-26.04,;10.65,-26.67,;9.3,-25.9,;7.97,-26.66,;6.64,-25.9,;6.64,-24.35,;7.97,-23.57,;9.3,-24.35,;5.29,-23.58,;3.96,-24.36,;2.61,-23.58,;1.27,-24.36,;1.28,-25.91,;2.63,-26.67,;3.97,-25.9,;10.79,-28.21,;9.65,-29.16,;8.32,-28.45,;7.04,-29.24,;7.09,-30.76,;5.78,-31.58,;8.42,-31.46,;9.69,-30.66,;10.94,-31.56,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50583879
PNG
(CHEMBL5070075)
Show SMILES O[C@H]1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,1.0,(28.94,-32.53,;27.98,-31.43,;28.59,-30.1,;27.96,-28.82,;28.74,-27.48,;27.7,-26.33,;26.29,-26.96,;24.95,-26.18,;23.62,-26.95,;22.28,-26.18,;22.28,-24.64,;23.62,-23.85,;24.95,-24.64,;20.94,-23.86,;19.61,-24.64,;18.26,-23.87,;16.92,-24.65,;16.93,-26.19,;18.28,-26.96,;19.61,-26.18,;26.44,-28.5,;25.29,-29.44,;23.96,-28.74,;22.69,-29.53,;22.74,-31.04,;21.43,-31.87,;24.07,-31.75,;25.34,-30.95,;26.58,-31.85,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Mus musculus (Mouse))		BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.340n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]-GTP-gammaS, binding (Experi...

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50583881
PNG
(CHEMBL5081323)
Show SMILES Cc1ccc-2c(CC(O)Cc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1 |r,wU:14.13,wD:17.20,(55.33,-32.61,;56.65,-31.79,;56.59,-30.27,;57.87,-29.48,;59.2,-30.19,;59.25,-31.7,;60.49,-32.59,;61.89,-32.18,;62.84,-33.28,;62.5,-30.85,;61.86,-29.57,;62.64,-28.22,;61.61,-27.07,;60.2,-27.7,;58.86,-26.93,;57.53,-27.69,;56.19,-26.93,;56.19,-25.38,;57.53,-24.6,;58.86,-25.38,;54.84,-24.61,;53.51,-25.39,;52.17,-24.61,;50.83,-25.39,;50.83,-26.94,;52.19,-27.7,;53.52,-26.93,;60.35,-29.24,;57.98,-32.49,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50076428
PNG
(4-Fluoro-cyclohexanecarboxylic acid {2-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCC(F)CC2)c2ccccn2)CC1 |(2.32,-7.79,;3.65,-8.56,;3.63,-10.1,;2.31,-10.86,;2.31,-12.41,;3.63,-13.18,;4.99,-12.41,;4.99,-10.87,;6.3,-10.12,;7.65,-10.89,;8.99,-10.12,;8.96,-8.58,;10.31,-7.82,;11.65,-8.58,;12.96,-7.82,;14.31,-8.58,;14.31,-10.13,;15.63,-7.82,;16.96,-8.58,;18.94,-8.27,;19.49,-9.96,;21.03,-9.96,;18.27,-9.22,;16.18,-9.51,;12.96,-6.27,;11.65,-5.51,;11.65,-3.96,;12.96,-3.19,;14.31,-3.96,;14.31,-5.51,;7.65,-7.81,;6.32,-8.58,)|
Show InChI InChI=1S/C25H33FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-8,13,20-21H,9-12,14-19H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.515n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50374600
PNG
(CHEMBL272899)
Show SMILES CCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H26N2OS/c1-2-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-3-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.560n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate

J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.590n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50546439
PNG
(Balovaptan | RG-7314 | RO-5285119 | RO5285119 | Rg...)
Show SMILES CN1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,(-.51,-6.75,;-1.47,-5.54,;-.79,-4.16,;-1.45,-2.76,;-.65,-1.45,;-1.66,-.28,;-3.08,-.88,;-4.39,-.07,;-5.74,-.79,;-7.05,.02,;-7,1.56,;-5.65,2.28,;-4.34,1.47,;-8.31,2.37,;-9.67,1.64,;-9.72,.1,;-11.08,-.63,;-12.38,.19,;-12.34,1.72,;-10.98,2.45,;-2.95,-2.41,;-4.16,-3.37,;-5.49,-2.59,;-6.83,-3.35,;-6.83,-4.89,;-8.17,-5.65,;-5.51,-5.67,;-4.17,-4.91,;-2.97,-5.87,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
 0.700n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50076429
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.791n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor (Experiment 2)

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50546436
PNG
(CHEMBL4799793)
Show SMILES Clc1ccc-2c(CCCc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1 |r,wU:13.12,wD:16.19,(20.56,-28.4,;21.91,-29.12,;23.23,-28.31,;24.58,-29.05,;24.62,-30.59,;23.31,-31.39,;23.13,-32.92,;24.2,-34.02,;25.73,-33.86,;26.56,-32.56,;28.09,-32.56,;28.56,-31.1,;27.32,-30.2,;27.31,-28.66,;25.98,-27.88,;25.99,-26.34,;27.34,-25.57,;28.67,-26.35,;28.66,-27.9,;27.34,-24.04,;26.01,-23.27,;26.02,-21.74,;24.69,-20.97,;23.36,-21.74,;23.36,-23.28,;24.69,-24.04,;26.07,-31.1,;21.96,-30.66,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.800n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50398057
PNG
(CHEMBL2181924)
Show SMILES FCCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H25FN2OS/c19-9-5-6-15-7-8-16-17(14-15)23-18(22)21(16)13-12-20-10-3-1-2-4-11-20/h7-8,14H,1-6,9-13H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.960n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate

J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50398057
PNG
(CHEMBL2181924)
Show SMILES FCCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H25FN2OS/c19-9-5-6-15-7-8-16-17(14-15)23-18(22)21(16)13-12-20-10-3-1-2-4-11-20/h7-8,14H,1-6,9-13H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.960n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate

J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Mus musculus (Mouse))		BDBM50076428
PNG
(4-Fluoro-cyclohexanecarboxylic acid {2-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCC(F)CC2)c2ccccn2)CC1 |(2.32,-7.79,;3.65,-8.56,;3.63,-10.1,;2.31,-10.86,;2.31,-12.41,;3.63,-13.18,;4.99,-12.41,;4.99,-10.87,;6.3,-10.12,;7.65,-10.89,;8.99,-10.12,;8.96,-8.58,;10.31,-7.82,;11.65,-8.58,;12.96,-7.82,;14.31,-8.58,;14.31,-10.13,;15.63,-7.82,;16.96,-8.58,;18.94,-8.27,;19.49,-9.96,;21.03,-9.96,;18.27,-9.22,;16.18,-9.51,;12.96,-6.27,;11.65,-5.51,;11.65,-3.96,;12.96,-3.19,;14.31,-3.96,;14.31,-5.51,;7.65,-7.81,;6.32,-8.58,)|
Show InChI InChI=1S/C25H33FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-8,13,20-21H,9-12,14-19H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]-GTP-gammaS, binding

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM35723
PNG
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V2 receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Mus musculus (Mouse))		BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]GTP-gamma-S, binding (Experi...

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50076429
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor (Expe...

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Homo sapiens (Human))		BDBM50338990
PNG
(1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...)
Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 1.70n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Binding affinity to EBP

J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50374600
PNG
(CHEMBL272899)
Show SMILES CCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H26N2OS/c1-2-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-3-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.70n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat brain homogenate

J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Mus musculus (Mouse))		BDBM50076429
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.90n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]-GTP-gammaS, binding (Experi...

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50295040
PNG
(5-(4-Cyclopropylphenyl)-1-(2-chloro-4-bromophenyl)...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(Br)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26BrClN4O/c1-16-23(25(32)29-30-13-3-2-4-14-30)28-31(22-12-11-20(26)15-21(22)27)24(16)19-9-7-18(8-10-19)17-5-6-17/h7-12,15,17H,2-6,13-14H2,1H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry

J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50295029
PNG
(5-(4-Cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-m...)
Show SMILES COc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4O2/c1-33-24-22(25(32)29-30-13-3-2-4-14-30)28-31(21-12-11-19(26)15-20(21)27)23(24)18-9-7-17(8-10-18)16-5-6-16/h7-12,15-16H,2-6,13-14H2,1H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry

J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50295024
PNG
(5-(4-Cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-m...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4O/c1-16-23(25(32)29-30-13-3-2-4-14-30)28-31(22-12-11-20(26)15-21(22)27)24(16)19-9-7-18(8-10-19)17-5-6-17/h7-12,15,17H,2-6,13-14H2,1H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry

J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 3.30n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate

J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 3.40n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat brain homogenate

J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50354894
PNG
(CHEMBL1837037)
Show SMILES CN1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
Show InChI InChI=1S/C21H23ClN6/c1-26-13-16-12-17(22)5-6-18(16)28-20(14-26)24-25-21(28)15-7-10-27(11-8-15)19-4-2-3-9-23-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 3.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Mus musculus (Mouse))		BDBM50076429
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]GTP-gamma-S, binding

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50295039
PNG
(5-(4-Cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C26H28Cl2N4O/c1-2-21-24(26(33)30-31-14-4-3-5-15-31)29-32(23-13-12-20(27)16-22(23)28)25(21)19-10-8-18(9-11-19)17-6-7-17/h8-13,16-17H,2-7,14-15H2,1H3,(H,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry

J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50076429
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor (Expe...

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50295041
PNG
(5-(4-Cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1
Show InChI InChI=1S/C25H26Cl2N4O/c1-2-20-23(25(32)29-30-13-3-4-14-30)28-31(22-12-11-19(26)15-21(22)27)24(20)18-9-7-17(8-10-18)16-5-6-16/h7-12,15-16H,2-6,13-14H2,1H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry

J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50295032
PNG
(5-(4-Cyclopropylphenyl)-1-(2-chlorophenyl)-4-methy...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccccc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H27ClN4O/c1-17-23(25(31)28-29-15-5-2-6-16-29)27-30(22-8-4-3-7-21(22)26)24(17)20-13-11-19(12-14-20)18-9-10-18/h3-4,7-8,11-14,18H,2,5-6,9-10,15-16H2,1H3,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry

J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50077217
PNG
(CHEMBL3416885)
Show SMILES CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12
Show InChI InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 5.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
 6n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry

J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50583883
PNG
(CHEMBL5078950)
Show SMILES Cc1cccc2C[C@H](O)Cc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n3-c12 |r,wU:14.13,7.7,wD:17.20,(52.71,-45.41,;52.72,-46.96,;51.44,-47.75,;51.5,-49.26,;52.82,-49.97,;54.1,-49.17,;55.34,-50.07,;56.74,-49.65,;57.69,-50.76,;57.34,-48.33,;56.71,-47.04,;57.49,-45.7,;56.46,-44.56,;55.04,-45.18,;53.71,-44.41,;52.37,-45.17,;51.04,-44.41,;51.04,-42.86,;52.37,-42.08,;53.71,-42.86,;49.69,-42.09,;48.36,-42.87,;47.02,-42.09,;45.68,-42.87,;45.68,-44.42,;47.04,-45.18,;48.37,-44.41,;55.19,-46.72,;54.05,-47.67,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50583883
PNG
(CHEMBL5078950)
Show SMILES Cc1cccc2C[C@H](O)Cc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n3-c12 |r,wU:14.13,7.7,wD:17.20,(52.71,-45.41,;52.72,-46.96,;51.44,-47.75,;51.5,-49.26,;52.82,-49.97,;54.1,-49.17,;55.34,-50.07,;56.74,-49.65,;57.69,-50.76,;57.34,-48.33,;56.71,-47.04,;57.49,-45.7,;56.46,-44.56,;55.04,-45.18,;53.71,-44.41,;52.37,-45.17,;51.04,-44.41,;51.04,-42.86,;52.37,-42.08,;53.71,-42.86,;49.69,-42.09,;48.36,-42.87,;47.02,-42.09,;45.68,-42.87,;45.68,-44.42,;47.04,-45.18,;48.37,-44.41,;55.19,-46.72,;54.05,-47.67,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
 6.5n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50295025
PNG
(5-(4-Cyclobutylphenyl)-1-(2,4-dichlorophenyl)-4-me...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C26H28Cl2N4O/c1-17-24(26(33)30-31-14-3-2-4-15-31)29-32(23-13-12-21(27)16-22(23)28)25(17)20-10-8-19(9-11-20)18-6-5-7-18/h8-13,16,18H,2-7,14-15H2,1H3,(H,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 7n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry

J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50295033
PNG
(5-(4-Cyclopropylphenyl)-1-(2-chloro-4-fluorophenyl...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(F)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26ClFN4O/c1-16-23(25(32)29-30-13-3-2-4-14-30)28-31(22-12-11-20(27)15-21(22)26)24(16)19-9-7-18(8-10-19)17-5-6-17/h7-12,15,17H,2-6,13-14H2,1H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 8n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry

J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50583880
PNG
(CHEMBL5088219)
Show SMILES Cc1cccc-2c1CC(O)Cc1nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n-21 |r,wU:15.15,wD:18.22,(40.31,-33.55,;40.25,-32,;38.92,-31.29,;38.87,-29.78,;40.15,-28.99,;41.48,-29.7,;41.52,-31.2,;42.77,-32.1,;44.17,-31.68,;45.12,-32.78,;44.77,-30.36,;44.14,-29.07,;44.92,-27.73,;43.89,-26.58,;42.48,-27.21,;41.13,-26.44,;39.8,-27.2,;38.47,-26.44,;38.47,-24.89,;39.8,-24.1,;41.13,-24.89,;37.12,-24.12,;35.79,-24.9,;34.44,-24.12,;33.1,-24.9,;33.11,-26.45,;34.46,-27.21,;35.8,-26.44,;42.62,-28.75,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 8.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50295034
PNG
(5-(4-Cyclopropylphenyl)-1-(2-fluorophenyl)-4-methy...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccccc1F)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H27FN4O/c1-17-23(25(31)28-29-15-5-2-6-16-29)27-30(22-8-4-3-7-21(22)26)24(17)20-13-11-19(12-14-20)18-9-10-18/h3-4,7-8,11-14,18H,2,5-6,9-10,15-16H2,1H3,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 11n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry

J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50583887
PNG
(CHEMBL5074961)
Show SMILES OC1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2cccc(Cl)c2C1 |r,wU:7.6,wD:10.13,(17.57,-27.66,;16.62,-26.56,;17.23,-25.23,;16.59,-23.95,;17.37,-22.61,;16.34,-21.46,;14.93,-22.08,;13.58,-21.31,;12.25,-22.07,;10.91,-21.31,;10.91,-19.76,;12.25,-18.98,;13.58,-19.76,;9.57,-18.99,;8.23,-19.77,;6.89,-18.99,;5.55,-19.77,;5.55,-21.32,;6.91,-22.09,;8.24,-21.31,;15.07,-23.62,;13.93,-24.57,;12.59,-23.86,;11.32,-24.66,;11.37,-26.17,;12.7,-26.88,;12.76,-28.4,;13.97,-26.08,;15.22,-26.98,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00863
BindingDB Entry DOI: 10.7270/Q2GM8C6F
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50552011
PNG
(CHEMBL4792992)
Show SMILES CN(C)CCCN1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
 13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50295027
PNG
(5-(4-Cyclohexylphenyl)-1-(2,4-dichlorophenyl)-4-me...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CCCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C28H32Cl2N4O/c1-19-26(28(35)32-33-16-6-3-7-17-33)31-34(25-15-14-23(29)18-24(25)30)27(19)22-12-10-21(11-13-22)20-8-4-2-5-9-20/h10-15,18,20H,2-9,16-17H2,1H3,(H,32,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 13n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry

J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50295037
PNG
(5-(4-Cyclopropylphenyl)-1-(2-fluoro-4-chlorophenyl...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(Cl)cc1F)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26ClFN4O/c1-16-23(25(32)29-30-13-3-2-4-14-30)28-31(22-12-11-20(26)15-21(22)27)24(16)19-9-7-18(8-10-19)17-5-6-17/h7-12,15,17H,2-6,13-14H2,1H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 14n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry

J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50295026
PNG
(5-(4-Cyclopentylphenyl)-1-(2,4-dichlorophenyl)-4-m...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C27H30Cl2N4O/c1-18-25(27(34)31-32-15-5-2-6-16-32)30-33(24-14-13-22(28)17-23(24)29)26(18)21-11-9-20(10-12-21)19-7-3-4-8-19/h9-14,17,19H,2-8,15-16H2,1H3,(H,31,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 15n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry

J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50295028
PNG
(5-(4-Cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-p...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(cc1-c1ccc(cc1)C1CC1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C24H24Cl2N4O/c25-19-10-11-22(20(26)14-19)30-23(18-8-6-17(7-9-18)16-4-5-16)15-21(27-30)24(31)28-29-12-2-1-3-13-29/h6-11,14-16H,1-5,12-13H2,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 16n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry

J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50552018
PNG
(CHEMBL4764100)
Show SMILES CN1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50552012
PNG
(CHEMBL4786423)
Show SMILES CN(C)CCN1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50552009
PNG
(CHEMBL4747356)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)c2ccccn2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 28n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 785 total )  |  Next  |  Last  >>
Jump to: