BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'swanson' and Initial = 'n'   
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20461
PNG
((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...)
Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

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



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant TRPV1

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50052442
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid (2R,3S,3a...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |r,t:10,35,THB:23:15:26.25.24:12|
Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

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



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant TRPV1

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50318494
PNG
(3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents

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



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50228791
PNG
(CHEMBL329897)
Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1cccc(Cl)c1Cl |c:15|
Show InChI InChI=1S/C17H18Cl2N2O4S/c1-4-24-15(22)12-9(3)20-16(26)21(17(23)25-5-2)14(12)10-7-6-8-11(18)13(10)19/h6-8,14,22H,4-5H2,1-3H3/b15-12+
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50228797
PNG
(CHEMBL89260)
Show SMILES CCOC(=O)N1C(\C(=C(/O)OC(C)C)C(C)=NC1=S)c1cccc(c1)[N+]([O-])=O |c:15|
Show InChI InChI=1S/C18H21N3O6S/c1-5-26-18(23)20-15(12-7-6-8-13(9-12)21(24)25)14(11(4)19-17(20)28)16(22)27-10(2)3/h6-10,15,22H,5H2,1-4H3/b16-14+
PDB

KEGG

UniProtKB/SwissProt

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

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



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50228807
PNG
(CHEMBL2092901)
Show SMILES CCOC(=O)N1[C@@H](\C(=C(/O)OC(C)C)C(C)=NC1=S)c1cccc(c1)[N+]([O-])=O |r,c:15|
Show InChI InChI=1S/C18H21N3O6S/c1-5-26-18(23)20-15(12-7-6-8-13(9-12)21(24)25)14(11(4)19-17(20)28)16(22)27-10(2)3/h6-10,15,22H,5H2,1-4H3/b16-14+/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 2n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50228801
PNG
(CHEMBL89049)
Show SMILES CCOC(=O)N1C(C(C(=O)OC(C)C)=C(C)NC1=O)c1cccc(c1)[N+]([O-])=O |t:13|
Show InChI InChI=1S/C18H21N3O7/c1-5-27-18(24)20-15(12-7-6-8-13(9-12)21(25)26)14(11(4)19-17(20)23)16(22)28-10(2)3/h6-10,15H,5H2,1-4H3,(H,19,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50228811
PNG
(CHEMBL84906)
Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1cccc(c1Cl)[N+]([O-])=O |c:15|
Show InChI InChI=1S/C17H18ClN3O6S/c1-4-26-15(22)12-9(3)19-16(28)20(17(23)27-5-2)14(12)10-7-6-8-11(13(10)18)21(24)25/h6-8,14,22H,4-5H2,1-3H3/b15-12+
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50325890
PNG
(CHEMBL1224536 | N-(1-((6-(benzo[d][1,3]dioxol-4-yl...)
Show SMILES CC(C)(O)CC(=O)Nc1ccc2ccn(Cc3cccc(n3)-c3cccc4OCOc34)c2c1
Show InChI InChI=1S/C26H25N3O4/c1-26(2,31)14-24(30)28-18-10-9-17-11-12-29(22(17)13-18)15-19-5-3-7-21(27-19)20-6-4-8-23-25(20)33-16-32-23/h3-13,31H,14-16H2,1-2H3,(H,28,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50228808
PNG
(CHEMBL86415)
Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1ccccc1[N+]([O-])=O |c:15|
Show InChI InChI=1S/C17H19N3O6S/c1-4-25-15(21)13-10(3)18-16(27)19(17(22)26-5-2)14(13)11-8-6-7-9-12(11)20(23)24/h6-9,14,21H,4-5H2,1-3H3/b15-13+
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50228810
PNG
(CHEMBL89904)
Show SMILES CCO\C(O)=C1\C(N(C(=O)OC)C(=S)N=C1C)c1cccc(c1)[N+]([O-])=O |c:14|
Show InChI InChI=1S/C16H17N3O6S/c1-4-25-14(20)12-9(2)17-15(26)18(16(21)24-3)13(12)10-6-5-7-11(8-10)19(22)23/h5-8,13,20H,4H2,1-3H3/b14-12+
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50227246
PNG
(CHEMBL3392282)
Show SMILES CCOC(=O)C1=C(C)NC(SCC)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCC |c:5,12|
Show InChI InChI=1S/C20H24N2O6S/c1-5-27-19(23)15-12(4)21-18(29-7-3)17(20(24)28-6-2)16(15)13-9-8-10-14(11-13)22(25)26/h8-11,16,21H,5-7H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

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



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50325894
PNG
(CHEMBL1224615 | N-(3-((6-(benzo[d][1,3]dioxol-4-yl...)
Show SMILES Cn1cc(Cc2cccc(n2)-c2cccc3OCOc23)c2cc(NC(=O)CC(C)(C)O)ccc12
Show InChI InChI=1S/C27H27N3O4/c1-27(2,32)14-25(31)29-19-10-11-23-21(13-19)17(15-30(23)3)12-18-6-4-8-22(28-18)20-7-5-9-24-26(20)34-16-33-24/h4-11,13,15,32H,12,14,16H2,1-3H3,(H,29,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50228804
PNG
(CHEMBL89175)
Show SMILES CCOC(=O)C1=C(C)N=C(S)N(C1c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccccc1 |c:5,t:8|
Show InChI InChI=1S/C20H19N3O6S2/c1-3-29-19(24)17-13(2)21-20(30)22(31(27,28)16-10-5-4-6-11-16)18(17)14-8-7-9-15(12-14)23(25)26/h4-12,18H,3H2,1-2H3,(H,21,30)
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331116
PNG
(2-morpholino-N-(4-(trifluoromethyl)phenyl)-7-(3-(t...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C25H24F6N6O/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331116
PNG
(2-morpholino-N-(4-(trifluoromethyl)phenyl)-7-(3-(t...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C25H24F6N6O/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay

Bioorg Med Chem Lett 20: 7142-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.006
BindingDB Entry DOI: 10.7270/Q26Q1XH0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50325888
PNG
(CHEMBL1224534 | N-(1-((6-(benzo[d][1,3]dioxol-4-yl...)
Show SMILES CC(C)(CO)C(=O)Nc1ccc2ccn(Cc3cccc(n3)-c3cccc4OCOc34)c2c1
Show InChI InChI=1S/C26H25N3O4/c1-26(2,15-30)25(31)28-18-10-9-17-11-12-29(22(17)13-18)14-19-5-3-7-21(27-19)20-6-4-8-23-24(20)33-16-32-23/h3-13,30H,14-16H2,1-2H3,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50325892
PNG
(CHEMBL1224613 | N-(3-((6-(benzo[d][1,3]dioxol-4-yl...)
Show SMILES Cn1cc(Cc2cccc(n2)-c2cccc3OCOc23)c2cc(NC(=O)C(C)(C)CO)ccc12
Show InChI InChI=1S/C27H27N3O4/c1-27(2,15-31)26(32)29-19-10-11-23-21(13-19)17(14-30(23)3)12-18-6-4-8-22(28-18)20-7-5-9-24-25(20)34-16-33-24/h4-11,13-14,31H,12,15-16H2,1-3H3,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331150
PNG
(CHEMBL1290369 | N-(4-tert-butylphenyl)-7-(3-(trifl...)
Show SMILES CC(C)(C)c1ccc(Nc2ncnc3CN(CCc23)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C23H24F3N5/c1-22(2,3)15-6-8-16(9-7-15)30-20-17-10-12-31(13-19(17)28-14-29-20)21-18(23(24,25)26)5-4-11-27-21/h4-9,11,14H,10,12-13H2,1-3H3,(H,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50228812
PNG
(CHEMBL315125)
Show SMILES CCO\C(O)=C1\C(N(C(=O)c2ccc(OC)cc2)C(=S)N=C1C)c1cccc(c1)[N+]([O-])=O |c:21|
Show InChI InChI=1S/C22H21N3O6S/c1-4-31-21(27)18-13(2)23-22(32)24(20(26)14-8-10-17(30-3)11-9-14)19(18)15-6-5-7-16(12-15)25(28)29/h5-12,19,27H,4H2,1-3H3/b21-18+
PDB

KEGG

UniProtKB/SwissProt

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

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



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50332848
PNG
(2-(4-cyclopropylpiperazin-1-yl)-N-(4-(trifluoromet...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCN(CC2)C2CC2)cc1
Show InChI InChI=1S/C28H29F6N7/c29-27(30,31)18-3-5-19(6-4-18)36-24-21-9-12-40(25-22(28(32,33)34)2-1-11-35-25)13-10-23(21)37-26(38-24)41-16-14-39(15-17-41)20-7-8-20/h1-6,11,20H,7-10,12-17H2,(H,36,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

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



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay

Bioorg Med Chem Lett 20: 7142-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.006
BindingDB Entry DOI: 10.7270/Q26Q1XH0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50332846
PNG
(2-(4-isobutylpiperazin-1-yl)-N-(4-(trifluoromethyl...)
Show SMILES CC(C)CN1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C29H33F6N7/c1-19(2)18-40-14-16-42(17-15-40)27-38-24-10-13-41(26-23(29(33,34)35)4-3-11-36-26)12-9-22(24)25(39-27)37-21-7-5-20(6-8-21)28(30,31)32/h3-8,11,19H,9-10,12-18H2,1-2H3,(H,37,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

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



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay

Bioorg Med Chem Lett 20: 7142-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.006
BindingDB Entry DOI: 10.7270/Q26Q1XH0
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50228796
PNG
(CHEMBL330707)
Show SMILES CCO\C(O)=C1\C(N(C(=O)OC(C)C)C(=S)N=C1C)c1cccc(c1)[N+]([O-])=O |c:16|
Show InChI InChI=1S/C18H21N3O6S/c1-5-26-16(22)14-11(4)19-17(28)20(18(23)27-10(2)3)15(14)12-7-6-8-13(9-12)21(24)25/h6-10,15,22H,5H2,1-4H3/b16-14+
PDB

KEGG

UniProtKB/SwissProt

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

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



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50254114
PNG
(CHEMBL461658 | N-(4-(trifluoromethyl)phenyl)-7-(3-...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3CN(CCc23)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H15F6N5/c21-19(22,23)12-3-5-13(6-4-12)30-17-14-7-9-31(10-16(14)28-11-29-17)18-15(20(24,25)26)2-1-8-27-18/h1-6,8,11H,7,9-10H2,(H,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50332850
PNG
(2-(4-cyclopentylpiperazin-1-yl)-N-(4-(trifluoromet...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C30H33F6N7/c31-29(32,33)20-7-9-21(10-8-20)38-26-23-11-14-42(27-24(30(34,35)36)6-3-13-37-27)15-12-25(23)39-28(40-26)43-18-16-41(17-19-43)22-4-1-2-5-22/h3,6-10,13,22H,1-2,4-5,11-12,14-19H2,(H,38,39,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

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



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay

Bioorg Med Chem Lett 20: 7142-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.006
BindingDB Entry DOI: 10.7270/Q26Q1XH0
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50228795
PNG
(CHEMBL315298)
Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1ccccc1Cl |c:15|
Show InChI InChI=1S/C17H19ClN2O4S/c1-4-23-15(21)13-10(3)19-16(25)20(17(22)24-5-2)14(13)11-8-6-7-9-12(11)18/h6-9,14,21H,4-5H2,1-3H3/b15-13+
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 17n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50228790
PNG
(CHEMBL440695)
Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1cccc(c1)[N+]([O-])=O |c:15|
Show InChI InChI=1S/C17H19N3O6S/c1-4-25-15(21)13-10(3)18-16(27)19(17(22)26-5-2)14(13)11-7-6-8-12(9-11)20(23)24/h6-9,14,21H,4-5H2,1-3H3/b15-13+
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 17n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331154
PNG
(CHEMBL1290584 | N-(4-tert-butylphenyl)-2-isopropyl...)
Show SMILES CC(C)c1nc2CN(CCc2c(Nc2ccc(cc2)C(C)(C)C)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C26H30F3N5/c1-16(2)22-32-21-15-34(24-20(26(27,28)29)7-6-13-30-24)14-12-19(21)23(33-22)31-18-10-8-17(9-11-18)25(3,4)5/h6-11,13,16H,12,14-15H2,1-5H3,(H,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331131
PNG
(2-methyl-2-(4-(2-(piperidin-1-yl)-7-(3-(trifluorom...)
Show SMILES CC(C)(C#N)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1
Show InChI InChI=1S/C29H32F3N7/c1-28(2,19-33)20-8-10-21(11-9-20)35-25-22-12-17-38(26-23(29(30,31)32)7-6-14-34-26)18-13-24(22)36-27(37-25)39-15-4-3-5-16-39/h6-11,14H,3-5,12-13,15-18H2,1-2H3,(H,35,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50325895
PNG
(CHEMBL1224667 | N-(3-((6-(4-fluoro-2-methoxyphenyl...)
Show SMILES COc1cc(F)ccc1-c1cccc(Cc2cn(C)c3ccc(NC(=O)CC(C)(C)O)cc23)n1
Show InChI InChI=1S/C27H28FN3O3/c1-27(2,33)15-26(32)30-20-9-11-24-22(14-20)17(16-31(24)3)12-19-6-5-7-23(29-19)21-10-8-18(28)13-25(21)34-4/h5-11,13-14,16,33H,12,15H2,1-4H3,(H,30,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331117
PNG
(2-thiomorpholino-N-(4-(trifluoromethyl)phenyl)-7-(...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCSCC2)cc1
Show InChI InChI=1S/C25H24F6N6S/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM20461
PNG
((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...)
Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat TRPV1

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50331116
PNG
(2-morpholino-N-(4-(trifluoromethyl)phenyl)-7-(3-(t...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C25H24F6N6O/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay

Bioorg Med Chem Lett 20: 7142-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.006
BindingDB Entry DOI: 10.7270/Q26Q1XH0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331124
PNG
(2-(piperidin-1-yl)-N-(5-(trifluoromethyl)pyrazin-2...)
Show SMILES FC(F)(F)c1cnc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cn1
Show InChI InChI=1S/C24H24F6N8/c25-23(26,27)16-5-4-8-31-21(16)37-11-6-15-17(7-12-37)34-22(38-9-2-1-3-10-38)36-20(15)35-19-14-32-18(13-33-19)24(28,29)30/h4-5,8,13-14H,1-3,6-7,9-12H2,(H,33,34,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50325882
PNG
(CHEMBL1224373 | N-(1-((6-(benzo[d][1,3]dioxol-4-yl...)
Show SMILES CC(C)(C)C(=O)Nc1ccc2ncn(Cc3cccc(n3)-c3cccc4OCOc34)c2c1
Show InChI InChI=1S/C25H24N4O3/c1-25(2,3)24(30)28-16-10-11-20-21(12-16)29(14-26-20)13-17-6-4-8-19(27-17)18-7-5-9-22-23(18)32-15-31-22/h4-12,14H,13,15H2,1-3H3,(H,28,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50325891
PNG
(CHEMBL1224612 | N-(1-((6-(4-fluoro-2-methoxyphenyl...)
Show SMILES COc1cc(F)ccc1-c1cccc(Cn2ccc3ccc(NC(=O)CC(C)(C)O)cc23)n1
Show InChI InChI=1S/C26H26FN3O3/c1-26(2,32)15-25(31)29-19-9-7-17-11-12-30(23(17)14-19)16-20-5-4-6-22(28-20)21-10-8-18(27)13-24(21)33-3/h4-14,32H,15-16H2,1-3H3,(H,29,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50332849
PNG
(2-(4-cyclobutylpiperazin-1-yl)-N-(4-(trifluorometh...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C29H31F6N7/c30-28(31,32)19-6-8-20(9-7-19)37-25-22-10-13-41(26-23(29(33,34)35)5-2-12-36-26)14-11-24(22)38-27(39-25)42-17-15-40(16-18-42)21-3-1-4-21/h2,5-9,12,21H,1,3-4,10-11,13-18H2,(H,37,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay

Bioorg Med Chem Lett 20: 7142-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.006
BindingDB Entry DOI: 10.7270/Q26Q1XH0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331137
PNG
(CHEMBL1289818 | N,N-dimethyl-4-(2-(piperidin-1-yl)...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1
Show InChI InChI=1S/C27H32F3N7O2S/c1-35(2)40(38,39)20-10-8-19(9-11-20)32-24-21-12-17-36(25-22(27(28,29)30)7-6-14-31-25)18-13-23(21)33-26(34-24)37-15-4-3-5-16-37/h6-11,14H,3-5,12-13,15-18H2,1-2H3,(H,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331157
PNG
(CHEMBL1290704 | N-(4-tert-butylphenyl)-7-(3-(trifl...)
Show SMILES CC(C)(C)c1ccc(Nc2ncnc3CCN(CCc23)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C24H26F3N5/c1-23(2,3)16-6-8-17(9-7-16)31-21-18-10-13-32(14-11-20(18)29-15-30-21)22-19(24(25,26)27)5-4-12-28-22/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50227344
PNG
(CHEMBL3392280)
Show SMILES CCOC(=O)C1=C(C)NC(OCC)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCC |c:5,12|
Show InChI InChI=1S/C20H24N2O7/c1-5-27-18-17(20(24)29-7-3)16(13-9-8-10-14(11-13)22(25)26)15(12(4)21-18)19(23)28-6-2/h8-11,16,21H,5-7H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 26n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))		BDBM50228805
PNG
(CHEMBL87921)
Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1ccccc1C(F)(F)F |c:15|
Show InChI InChI=1S/C18H19F3N2O4S/c1-4-26-15(24)13-10(3)22-16(28)23(17(25)27-5-2)14(13)11-8-6-7-9-12(11)18(19,20)21/h6-9,14,24H,4-5H2,1-3H3/b15-13+
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 26n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta

J Med Chem 33: 2629-35 (1990)


BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50325893
PNG
(CHEMBL1224614 | N-(3-((6-(4-fluoro-2-methoxyphenyl...)
Show SMILES COc1cc(F)ccc1-c1cccc(Cc2cn(C)c3ccc(NC(=O)C(C)(C)CO)cc23)n1
Show InChI InChI=1S/C27H28FN3O3/c1-27(2,16-32)26(33)30-20-9-11-24-22(14-20)17(15-31(24)3)12-19-6-5-7-23(29-19)21-10-8-18(28)13-25(21)34-4/h5-11,13-15,32H,12,16H2,1-4H3,(H,30,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331160
PNG
(2-cyclopropyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)C2CC2)cc1
Show InChI InChI=1S/C24H21F6N5/c25-23(26,27)15-5-7-16(8-6-15)32-21-17-9-12-35(22-18(24(28,29)30)2-1-11-31-22)13-10-19(17)33-20(34-21)14-3-4-14/h1-2,5-8,11,14H,3-4,9-10,12-13H2,(H,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331111
PNG
(2-phenyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifl...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C27H21F6N5/c28-26(29,30)18-8-10-19(11-9-18)35-24-20-12-15-38(25-21(27(31,32)33)7-4-14-34-25)16-13-22(20)36-23(37-24)17-5-2-1-3-6-17/h1-11,14H,12-13,15-16H2,(H,35,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50325886
PNG
(CHEMBL1224460 | N-(3-(3-(benzo[d][1,3]dioxol-4-yl)...)
Show SMILES Cn1cc(Cc2cccc(c2)-c2cccc3OCOc23)c2cc(NC(=O)C(C)(C)C)ccc12
Show InChI InChI=1S/C28H28N2O3/c1-28(2,3)27(31)29-21-11-12-24-23(15-21)20(16-30(24)4)14-18-7-5-8-19(13-18)22-9-6-10-25-26(22)33-17-32-25/h5-13,15-16H,14,17H2,1-4H3,(H,29,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay

Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331132
PNG
(2-methyl-2-(4-(2-morpholino-7-(3-(trifluoromethyl)...)
Show SMILES CC(C)(C#N)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C28H30F3N7O/c1-27(2,18-32)19-5-7-20(8-6-19)34-24-21-9-12-37(25-22(28(29,30)31)4-3-11-33-25)13-10-23(21)35-26(36-24)38-14-16-39-17-15-38/h3-8,11H,9-10,12-17H2,1-2H3,(H,34,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331122
PNG
(2-morpholino-7-(3-(trifluoromethyl)pyridin-2-yl)-N...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)nc1
Show InChI InChI=1S/C24H23F6N7O/c25-23(26,27)15-3-4-19(32-14-15)34-20-16-5-8-36(21-17(24(28,29)30)2-1-7-31-21)9-6-18(16)33-22(35-20)37-10-12-38-13-11-37/h1-4,7,14H,5-6,8-13H2,(H,32,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50332847
PNG
(2-(4-(pentan-3-yl)piperazin-1-yl)-N-(4-(trifluorom...)
Show SMILES CCC(CC)N1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C30H35F6N7/c1-3-22(4-2)41-16-18-43(19-17-41)28-39-25-12-15-42(27-24(30(34,35)36)6-5-13-37-27)14-11-23(25)26(40-28)38-21-9-7-20(8-10-21)29(31,32)33/h5-10,13,22H,3-4,11-12,14-19H2,1-2H3,(H,38,39,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

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



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay

Bioorg Med Chem Lett 20: 7142-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.006
BindingDB Entry DOI: 10.7270/Q26Q1XH0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331121
PNG
(2-(piperidin-1-yl)-7-(3-(trifluoromethyl)pyridin-2...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)nc1
Show InChI InChI=1S/C25H25F6N7/c26-24(27,28)16-6-7-20(33-15-16)35-21-17-8-13-37(22-18(25(29,30)31)5-4-10-32-22)14-9-19(17)34-23(36-21)38-11-2-1-3-12-38/h4-7,10,15H,1-3,8-9,11-14H2,(H,33,34,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50332848
PNG
(2-(4-cyclopropylpiperazin-1-yl)-N-(4-(trifluoromet...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCN(CC2)C2CC2)cc1
Show InChI InChI=1S/C28H29F6N7/c29-27(30,31)18-3-5-19(6-4-18)36-24-21-9-12-40(25-22(28(32,33)34)2-1-11-35-25)13-10-23(21)37-26(38-24)41-16-14-39(15-17-41)20-7-8-20/h1-6,11,20H,7-10,12-17H2,(H,36,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay

Bioorg Med Chem Lett 20: 7142-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.006
BindingDB Entry DOI: 10.7270/Q26Q1XH0
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 165 total )  |  Next  |  Last  >>
Jump to: