BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'smith' and Initial = 'rj'   
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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
 0.0460n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells

Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4


(Homo sapiens (Human))		BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
 0.0720n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor using [3H]epibatidine as radioligand in rat brain tissue

Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4


(Homo sapiens (Human))		BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
PubMed
 0.0910n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Agonistic potency against nicotinic acetylcholine receptor alpha3-beta4

Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
 0.457n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined against Nicotinic acetylcholine receptor using [3H]-(-)-nicotine radioligand

Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM50137787
PNG
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)
Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1 |TLB:0:1:8:5.4,THB:9:5:8:7.2.1|
Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 7.40n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells

Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Similars
PDB
PubMed
 9.10n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor using [3H]epibatidine as radioligand in rat brain tissue

Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor; alpha2/beta4


(Homo sapiens (Human))		BDBM50137787
PNG
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)
Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1 |TLB:0:1:8:5.4,THB:9:5:8:7.2.1|
Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



University of Wollongong

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-(-)-cytisine binding to whole rat brain membranes at Nicotinic acetylcholine receptor alpha4-beta2

Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4


(Homo sapiens (Human))		BDBM50137787
PNG
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)
Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1 |TLB:0:1:8:5.4,THB:9:5:8:7.2.1|
Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha2-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells

Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50137787
PNG
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)
Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1 |TLB:0:1:8:5.4,THB:9:5:8:7.2.1|
Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 88n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells

Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4


(Homo sapiens (Human))		BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Similars
PubMed
 103n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha2-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells

Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4


(Homo sapiens (Human))		BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Similars
PDB
PubMed
 129n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells

Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Similars
PubMed
 320n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha3-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells

Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50060425
PNG
(Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...)
Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccc2)C1
Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)

Bioorg Med Chem Lett 9: 2491-6 (1999)


BindingDB Entry DOI: 10.7270/Q27M074P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50080889
PNG
(3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrol...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2ccnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12
Show InChI InChI=1S/C26H29N5/c1-29-23(12-21-16-30(17-26(21)29)15-19-5-3-2-4-6-19)11-20-14-28-25-8-7-22(13-24(20)25)31-10-9-27-18-31/h2-10,13-14,18,21,23,26,28H,11-12,15-17H2,1H3/t21-,23+,26+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)

Bioorg Med Chem Lett 9: 2491-6 (1999)


BindingDB Entry DOI: 10.7270/Q27M074P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50080894
PNG
(3-[(2R,3aR,6aR)-5-(4-Fluoro-benzyl)-1-methyl-octah...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]12
Show InChI InChI=1S/C25H27FN6/c1-30-22(9-19-13-31(14-25(19)30)12-17-2-4-20(26)5-3-17)8-18-11-27-24-7-6-21(10-23(18)24)32-15-28-29-16-32/h2-7,10-11,15-16,19,22,25,27H,8-9,12-14H2,1H3/t19-,22+,25+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)

Bioorg Med Chem Lett 9: 2491-6 (1999)


BindingDB Entry DOI: 10.7270/Q27M074P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50080892
PNG
(Benzyl-[(3R,5R)-5-(5-imidazol-1-yl-1H-indol-3-ylme...)
Show SMILES CN(C[C@H]1C[C@H](Cc2c[nH]c3ccc(cc23)-n2ccnc2)N(C)C1)Cc1ccccc1
Show InChI InChI=1S/C26H31N5/c1-29(16-20-6-4-3-5-7-20)17-21-12-24(30(2)18-21)13-22-15-28-26-9-8-23(14-25(22)26)31-11-10-27-19-31/h3-11,14-15,19,21,24,28H,12-13,16-18H2,1-2H3/t21-,24-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)

Bioorg Med Chem Lett 9: 2491-6 (1999)


BindingDB Entry DOI: 10.7270/Q27M074P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50080890
PNG
(3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrol...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12
Show InChI InChI=1S/C25H28N6/c1-29-22(10-20-14-30(15-25(20)29)13-18-5-3-2-4-6-18)9-19-12-26-24-8-7-21(11-23(19)24)31-16-27-28-17-31/h2-8,11-12,16-17,20,22,25-26H,9-10,13-15H2,1H3/t20-,22+,25+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor

Bioorg Med Chem Lett 9: 2491-6 (1999)


BindingDB Entry DOI: 10.7270/Q27M074P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50080891
PNG
(3-{(2R,3aR,6aR)-5-[2-(3-Fluoro-phenyl)-ethyl]-1-me...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(CCc3cccc(F)c3)C[C@H]12
Show InChI InChI=1S/C26H29FN6/c1-31-23(10-19-13-28-25-6-5-22(12-24(19)25)33-16-29-30-17-33)11-20-14-32(15-26(20)31)8-7-18-3-2-4-21(27)9-18/h2-6,9,12-13,16-17,20,23,26,28H,7-8,10-11,14-15H2,1H3/t20-,23+,26+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)

Bioorg Med Chem Lett 9: 2491-6 (1999)


BindingDB Entry DOI: 10.7270/Q27M074P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50080893
PNG
(Benzyl-[(3S,5R)-5-(5-imidazol-1-yl-1H-indol-3-ylme...)
Show SMILES CN1C[C@@H](CN(Cc2ccccc2)C#N)C[C@@H]1Cc1c[nH]c2ccc(cc12)-n1ccnc1
Show InChI InChI=1S/C26H28N6/c1-30-15-21(17-31(18-27)16-20-5-3-2-4-6-20)11-24(30)12-22-14-29-26-8-7-23(13-25(22)26)32-10-9-28-19-32/h2-10,13-14,19,21,24,29H,11-12,15-17H2,1H3/t21-,24+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)

Bioorg Med Chem Lett 9: 2491-6 (1999)


BindingDB Entry DOI: 10.7270/Q27M074P
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50604564
PNG
(CHEMBL5191531)
Show SMILES COC(=O)[C@H](CC(C)C)Nc1nc(Cl)nc(N[C@H]2CC[C@@H](CC2)Nc2nc(Cl)nc(N[C@@H](CC(C)C)C(=O)OC)n2)n1 |r,wU:31.31,17.16,wD:20.23,4.8,(7.32,6.16,;5.99,5.39,;6,3.85,;4.66,3.08,;7.32,3.08,;8.66,3.86,;9.99,3.08,;11.33,3.86,;9.99,1.54,;7.33,1.54,;6,.77,;6,-.78,;4.66,-1.55,;4.66,-3.09,;3.33,-.77,;3.34,.77,;2.01,1.53,;.67,.77,;.67,-.77,;-.66,-1.54,;-1.99,-.76,;-2,.78,;-.66,1.54,;-3.31,-1.54,;-4.65,-.76,;-4.65,.79,;-5.99,1.55,;-5.99,3.09,;-7.32,.78,;-7.32,-.76,;-8.66,-1.54,;-8.66,-3.08,;-7.32,-3.84,;-7.32,-5.38,;-5.99,-6.16,;-8.66,-6.16,;-9.99,-3.84,;-9.99,-5.38,;-11.33,-3.08,;-11.33,-1.54,;-5.99,-1.54,;4.67,1.53,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.96E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50604573
PNG
(CHEMBL5174834)
Show SMILES CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(=O)OC(C)(C)C |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50604566
PNG
(CHEMBL5193490)
Show SMILES CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)n2)cc1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.72E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50604566
PNG
(CHEMBL5193490)
Show SMILES CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)n2)cc1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.16E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50604566
PNG
(CHEMBL5193490)
Show SMILES CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)n2)cc1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.47E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50604573
PNG
(CHEMBL5174834)
Show SMILES CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(=O)OC(C)(C)C |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.64E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50604573
PNG
(CHEMBL5174834)
Show SMILES CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(=O)OC(C)(C)C |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.67E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50604566
PNG
(CHEMBL5193490)
Show SMILES CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)n2)cc1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.77E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50604566
PNG
(CHEMBL5193490)
Show SMILES CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)n2)cc1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.98E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50604573
PNG
(CHEMBL5174834)
Show SMILES CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(=O)OC(C)(C)C |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.68E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50604573
PNG
(CHEMBL5174834)
Show SMILES CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(=O)OC(C)(C)C |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.99E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50604573
PNG
(CHEMBL5174834)
Show SMILES CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(=O)OC(C)(C)C |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.06E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50604564
PNG
(CHEMBL5191531)
Show SMILES COC(=O)[C@H](CC(C)C)Nc1nc(Cl)nc(N[C@H]2CC[C@@H](CC2)Nc2nc(Cl)nc(N[C@@H](CC(C)C)C(=O)OC)n2)n1 |r,wU:31.31,17.16,wD:20.23,4.8,(7.32,6.16,;5.99,5.39,;6,3.85,;4.66,3.08,;7.32,3.08,;8.66,3.86,;9.99,3.08,;11.33,3.86,;9.99,1.54,;7.33,1.54,;6,.77,;6,-.78,;4.66,-1.55,;4.66,-3.09,;3.33,-.77,;3.34,.77,;2.01,1.53,;.67,.77,;.67,-.77,;-.66,-1.54,;-1.99,-.76,;-2,.78,;-.66,1.54,;-3.31,-1.54,;-4.65,-.76,;-4.65,.79,;-5.99,1.55,;-5.99,3.09,;-7.32,.78,;-7.32,-.76,;-8.66,-1.54,;-8.66,-3.08,;-7.32,-3.84,;-7.32,-5.38,;-5.99,-6.16,;-8.66,-6.16,;-9.99,-3.84,;-9.99,-5.38,;-11.33,-3.08,;-11.33,-1.54,;-5.99,-1.54,;4.67,1.53,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.78E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50604565
PNG
(CHEMBL5180826)
Show SMILES CC(=O)Nc1ccc(Nc2ncnc(NCCC(=O)OC(C)(C)C)n2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50604569
PNG
(CHEMBL5170051)
Show SMILES CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(O)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50604565
PNG
(CHEMBL5180826)
Show SMILES CC(=O)Nc1ccc(Nc2ncnc(NCCC(=O)OC(C)(C)C)n2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50604569
PNG
(CHEMBL5170051)
Show SMILES CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(O)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50604565
PNG
(CHEMBL5180826)
Show SMILES CC(=O)Nc1ccc(Nc2ncnc(NCCC(=O)OC(C)(C)C)n2)cc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50604569
PNG
(CHEMBL5170051)
Show SMILES CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(O)=O |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50604565
PNG
(CHEMBL5180826)
Show SMILES CC(=O)Nc1ccc(Nc2ncnc(NCCC(=O)OC(C)(C)C)n2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50604569
PNG
(CHEMBL5170051)
Show SMILES CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(O)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50604565
PNG
(CHEMBL5180826)
Show SMILES CC(=O)Nc1ccc(Nc2ncnc(NCCC(=O)OC(C)(C)C)n2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50604569
PNG
(CHEMBL5170051)
Show SMILES CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(O)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50604565
PNG
(CHEMBL5180826)
Show SMILES CC(=O)Nc1ccc(Nc2ncnc(NCCC(=O)OC(C)(C)C)n2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50604569
PNG
(CHEMBL5170051)
Show SMILES CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(O)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01974
BindingDB Entry DOI: 10.7270/Q2V98D48
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50080894
PNG
(3-[(2R,3aR,6aR)-5-(4-Fluoro-benzyl)-1-methyl-octah...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]12
Show InChI InChI=1S/C25H27FN6/c1-30-22(9-19-13-31(14-25(19)30)12-17-2-4-20(26)5-3-17)8-18-11-27-24-7-6-21(10-23(18)24)32-15-28-29-16-32/h2-7,10-11,15-16,19,22,25,27H,8-9,12-14H2,1H3/t19-,22+,25+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor

Bioorg Med Chem Lett 9: 2491-6 (1999)


BindingDB Entry DOI: 10.7270/Q27M074P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50080889
PNG
(3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrol...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2ccnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12
Show InChI InChI=1S/C26H29N5/c1-29-23(12-21-16-30(17-26(21)29)15-19-5-3-2-4-6-19)11-20-14-28-25-8-7-22(13-24(20)25)31-10-9-27-18-31/h2-10,13-14,18,21,23,26,28H,11-12,15-17H2,1H3/t21-,23+,26+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 1.20n/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)

Bioorg Med Chem Lett 9: 2491-6 (1999)


BindingDB Entry DOI: 10.7270/Q27M074P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50060425
PNG
(Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...)
Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccc2)C1
Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/an/an/a 0.800n/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor

Bioorg Med Chem Lett 9: 2491-6 (1999)


BindingDB Entry DOI: 10.7270/Q27M074P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50080891
PNG
(3-{(2R,3aR,6aR)-5-[2-(3-Fluoro-phenyl)-ethyl]-1-me...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(CCc3cccc(F)c3)C[C@H]12
Show InChI InChI=1S/C26H29FN6/c1-31-23(10-19-13-28-25-6-5-22(12-24(19)25)33-16-29-30-17-33)11-20-14-32(15-26(20)31)8-7-18-3-2-4-21(27)9-18/h2-6,9,12-13,16-17,20,23,26,28H,7-8,10-11,14-15H2,1H3/t20-,23+,26+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 1.90n/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor

Bioorg Med Chem Lett 9: 2491-6 (1999)


BindingDB Entry DOI: 10.7270/Q27M074P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

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



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha3-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells

Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Similars
PubMed
n/an/an/an/a 4.30E+3n/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Agonistic potency against nicotinic acetylcholine receptor alpha3-beta4

Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 99 total )  |  Next  |  Last  >>
Jump to: