BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'ren' and Initial = 'kk'   
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
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140659
PNG
(CHEMBL287371 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethy...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NC)c2c1C
Show InChI InChI=1S/C18H22N4O/c1-6-23-15-9-7-14(8-10-15)22-12(3)16-11(2)20-21-18(19-5)17(16)13(22)4/h7-10H,6H2,1-5H3,(H,19,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140656
PNG
(CHEMBL26552 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethyl...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccccc3)c2c1C
Show InChI InChI=1S/C23H24N4O/c1-5-28-20-13-11-19(12-14-20)27-16(3)21-15(2)25-26-23(22(21)17(27)4)24-18-9-7-6-8-10-18/h6-14H,5H2,1-4H3,(H,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140645
PNG
(6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-p-tolyl-6H-p...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(C)cc3)c2c1C
Show InChI InChI=1S/C24H25N3O/c1-6-28-21-13-11-20(12-14-21)27-17(4)22-16(3)25-26-24(23(22)18(27)5)19-9-7-15(2)8-10-19/h7-14H,6H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 86n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140641
PNG
(6-(4-Ethoxy-phenyl)-1-(4-ethyl-phenyl)-4,5,7-trime...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(CC)cc3)c2c1C
Show InChI InChI=1S/C25H27N3O/c1-6-19-8-10-20(11-9-19)25-24-18(5)28(17(4)23(24)16(3)26-27-25)21-12-14-22(15-13-21)29-7-2/h8-15H,6-7H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 107n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140629
PNG
(1-(2-Cyclopentyl-ethyl)-6-(4-ethoxy-phenyl)-4,5,7-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(CCC3CCCC3)c2c1C
Show InChI InChI=1S/C24H31N3O/c1-5-28-21-13-11-20(12-14-21)27-17(3)23-16(2)25-26-22(24(23)18(27)4)15-10-19-8-6-7-9-19/h11-14,19H,5-10,15H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 148n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140664
PNG
(1,6-Bis-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrro...)
Show SMILES CCOc1ccc(cc1)-c1nnc(C)c2c(C)n(c(C)c12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C25H27N3O2/c1-6-29-21-12-8-19(9-13-21)25-24-18(5)28(17(4)23(24)16(3)26-27-25)20-10-14-22(15-11-20)30-7-2/h8-15H,6-7H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 153n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140642
PNG
(6-(4-Ethoxy-phenyl)-1-(4-methoxy-phenyl)-4,5,7-tri...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(OC)cc3)c2c1C
Show InChI InChI=1S/C24H25N3O2/c1-6-29-21-13-9-19(10-14-21)27-16(3)22-15(2)25-26-24(23(22)17(27)4)18-7-11-20(28-5)12-8-18/h7-14H,6H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 154n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140631
PNG
(1-Cyclopropyl-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(C3CC3)c2c1C
Show InChI InChI=1S/C20H23N3O/c1-5-24-17-10-8-16(9-11-17)23-13(3)18-12(2)21-22-20(15-6-7-15)19(18)14(23)4/h8-11,15H,5-7H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140632
PNG
(CHEMBL24747 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethyl...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N(C)C)c2c1C
Show InChI InChI=1S/C19H24N4O/c1-7-24-16-10-8-15(9-11-16)23-13(3)17-12(2)20-21-19(22(5)6)18(17)14(23)4/h8-11H,7H2,1-6H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140662
PNG
(6-(4-Ethoxy-phenyl)-1-isobutyl-4,5,7-trimethyl-6H-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(CC(C)C)c2c1C
Show InChI InChI=1S/C21H27N3O/c1-7-25-18-10-8-17(9-11-18)24-15(5)20-14(4)22-23-19(12-13(2)3)21(20)16(24)6/h8-11,13H,7,12H2,1-6H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 171n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140647
PNG
(6-(4-Ethoxy-phenyl)-1,4,5,7-tetramethyl-6H-pyrrolo...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(C)c2c1C
Show InChI InChI=1S/C18H21N3O/c1-6-22-16-9-7-15(8-10-16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5/h7-10H,6H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140643
PNG
(1-Cyclopentyl-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(C3CCCC3)c2c1C
Show InChI InChI=1S/C22H27N3O/c1-5-26-19-12-10-18(11-13-19)25-15(3)20-14(2)23-24-22(21(20)16(25)4)17-8-6-7-9-17/h10-13,17H,5-9H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 185n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140639
PNG
(1-Cyclopentylmethyl-6-(4-ethoxy-phenyl)-4,5,7-trim...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(CC3CCCC3)c2c1C
Show InChI InChI=1S/C23H29N3O/c1-5-27-20-12-10-19(11-13-20)26-16(3)22-15(2)24-25-21(23(22)17(26)4)14-18-8-6-7-9-18/h10-13,18H,5-9,14H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 211n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140630
PNG
(1-Cyclohexyl-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-6...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(C3CCCCC3)c2c1C
Show InChI InChI=1S/C23H29N3O/c1-5-27-20-13-11-19(12-14-20)26-16(3)21-15(2)24-25-23(22(21)17(26)4)18-9-7-6-8-10-18/h11-14,18H,5-10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 235n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140644
PNG
(CHEMBL24700 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethyl...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc(C)cc3)c2c1C
Show InChI InChI=1S/C24H26N4O/c1-6-29-21-13-11-20(12-14-21)28-17(4)22-16(3)26-27-24(23(22)18(28)5)25-19-9-7-15(2)8-10-19/h7-14H,6H2,1-5H3,(H,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140653
PNG
(6-(4-Ethoxy-phenyl)-1-ethyl-4,5,7-trimethyl-6H-pyr...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(CC)c2c1C
Show InChI InChI=1S/C19H23N3O/c1-6-17-19-14(5)22(13(4)18(19)12(3)20-21-17)15-8-10-16(11-9-15)23-7-2/h8-11H,6-7H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140652
PNG
(6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-(3-methyl-bu...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(CCC(C)C)c2c1C
Show InChI InChI=1S/C22H29N3O/c1-7-26-19-11-9-18(10-12-19)25-16(5)21-15(4)23-24-20(13-8-14(2)3)22(21)17(25)6/h9-12,14H,7-8,13H2,1-6H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 263n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140628
PNG
(6-(4-Ethoxy-phenyl)-1-(3-methoxy-phenyl)-4,5,7-tri...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3cccc(OC)c3)c2c1C
Show InChI InChI=1S/C24H25N3O2/c1-6-29-20-12-10-19(11-13-20)27-16(3)22-15(2)25-26-24(23(22)17(27)4)18-8-7-9-21(14-18)28-5/h7-14H,6H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 335n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140636
PNG
(6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-pentyl-6H-py...)
Show SMILES CCCCCc1nnc(C)c2c(C)n(c(C)c12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C22H29N3O/c1-6-8-9-10-20-22-17(5)25(16(4)21(22)15(3)23-24-20)18-11-13-19(14-12-18)26-7-2/h11-14H,6-10H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140633
PNG
(6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-phenyl-6H-py...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccccc3)c2c1C
Show InChI InChI=1S/C23H23N3O/c1-5-27-20-13-11-19(12-14-20)26-16(3)21-15(2)24-25-23(22(21)17(26)4)18-9-7-6-8-10-18/h6-14H,5H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 382n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140663
PNG
(CHEMBL24225 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethyl...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc(OC)cc3)c2c1C
Show InChI InChI=1S/C24H26N4O2/c1-6-30-21-13-9-19(10-14-21)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-18-7-11-20(29-5)12-8-18/h7-14H,6H2,1-5H3,(H,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140655
PNG
(6-(4-Ethoxy-phenyl)-1-(4-fluoro-phenyl)-4,5,7-trim...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(F)cc3)c2c1C
Show InChI InChI=1S/C23H22FN3O/c1-5-28-20-12-10-19(11-13-20)27-15(3)21-14(2)25-26-23(22(21)16(27)4)17-6-8-18(24)9-7-17/h6-13H,5H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 528n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140648
PNG
(6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-(2,4,4-trime...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(CC(C)CC(C)(C)C)c2c1C
Show InChI InChI=1S/C25H35N3O/c1-9-29-21-12-10-20(11-13-21)28-18(4)23-17(3)26-27-22(24(23)19(28)5)14-16(2)15-25(6,7)8/h10-13,16H,9,14-15H2,1-8H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 577n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140649
PNG
(1-(2,4-Dimethoxy-phenyl)-6-(4-ethoxy-phenyl)-4,5,7...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(OC)cc3OC)c2c1C
Show InChI InChI=1S/C25H27N3O3/c1-7-31-19-10-8-18(9-11-19)28-16(3)23-15(2)26-27-25(24(23)17(28)4)21-13-12-20(29-5)14-22(21)30-6/h8-14H,7H2,1-6H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 597n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140634
PNG
(1-(4-Chloro-phenyl)-6-(4-ethoxy-phenyl)-4,5,7-trim...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(Cl)cc3)c2c1C
Show InChI InChI=1S/C23H22ClN3O/c1-5-28-20-12-10-19(11-13-20)27-15(3)21-14(2)25-26-23(22(21)16(27)4)17-6-8-18(24)9-7-17/h6-13H,5H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 701n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140640
PNG
(6-(4-Ethoxy-phenyl)-1-(2-methoxy-phenyl)-4,5,7-tri...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccccc3OC)c2c1C
Show InChI InChI=1S/C24H25N3O2/c1-6-29-19-13-11-18(12-14-19)27-16(3)22-15(2)25-26-24(23(22)17(27)4)20-9-7-8-10-21(20)28-5/h7-14H,6H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 737n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140654
PNG
(1-Biphenyl-4-yl-6-(4-ethoxy-phenyl)-4,5,7-trimethy...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(cc3)-c3ccccc3)c2c1C
Show InChI InChI=1S/C29H27N3O/c1-5-33-26-17-15-25(16-18-26)32-20(3)27-19(2)30-31-29(28(27)21(32)4)24-13-11-23(12-14-24)22-9-7-6-8-10-22/h6-18H,5H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140651
PNG
(1-(3-Chloro-phenyl)-6-(4-ethoxy-phenyl)-4,5,7-trim...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3cccc(Cl)c3)c2c1C
Show InChI InChI=1S/C23H22ClN3O/c1-5-28-20-11-9-19(10-12-20)27-15(3)21-14(2)25-26-23(22(21)16(27)4)17-7-6-8-18(24)13-17/h6-13H,5H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140650
PNG
(6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-(4-trifluoro...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(OC(F)(F)F)cc3)c2c1C
Show InChI InChI=1S/C24H22F3N3O2/c1-5-31-19-12-8-18(9-13-19)30-15(3)21-14(2)28-29-23(22(21)16(30)4)17-6-10-20(11-7-17)32-24(25,26)27/h6-13H,5H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.73E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140635
PNG
(6-(2-Ethoxy-phenyl)-1,4,5,7-tetramethyl-6H-pyrrolo...)
Show SMILES CCOc1ccccc1-n1c(C)c2c(C)nnc(C)c2c1C |(1.05,-4.21,;-.49,-4.21,;-1.28,-2.88,;-.51,-1.55,;1.03,-1.55,;1.8,-.21,;1.01,1.12,;-.53,1.11,;-1.28,-.22,;-2.82,-.23,;-3.71,-1.48,;-3.24,-2.95,;-5.18,-1.01,;-6.53,-1.78,;-6.53,-3.32,;-7.86,-1.01,;-7.86,.53,;-6.53,1.3,;-6.53,2.84,;-5.2,.53,;-3.73,1.02,;-3.26,2.47,)|
Show InChI InChI=1S/C18H21N3O/c1-6-22-16-10-8-7-9-15(16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5/h7-10H,6H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.85E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140658
PNG
(6-(4-Ethoxy-phenyl)-1-methoxy-4,5,7-trimethyl-6H-p...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(OC)c2c1C
Show InChI InChI=1S/C18H21N3O2/c1-6-23-15-9-7-14(8-10-15)21-12(3)16-11(2)19-20-18(22-5)17(16)13(21)4/h7-10H,6H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.18E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140637
PNG
(1-(2-Chloro-phenyl)-6-(4-ethoxy-phenyl)-4,5,7-trim...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccccc3Cl)c2c1C
Show InChI InChI=1S/C23H22ClN3O/c1-5-28-18-12-10-17(11-13-18)27-15(3)21-14(2)25-26-23(22(21)16(27)4)19-8-6-7-9-20(19)24/h6-13H,5H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.37E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140657
PNG
(1,4,5,7-Tetramethyl-6-(4-propoxy-phenyl)-6H-pyrrol...)
Show SMILES CCCOc1ccc(cc1)-n1c(C)c2c(C)nnc(C)c2c1C
Show InChI InChI=1S/C19H23N3O/c1-6-11-23-17-9-7-16(8-10-17)22-14(4)18-12(2)20-21-13(3)19(18)15(22)5/h7-10H,6,11H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.18E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140660
PNG
(6-(4-Methoxy-phenyl)-1,4,5,7-tetramethyl-6H-pyrrol...)
Show SMILES COc1ccc(cc1)-n1c(C)c2c(C)nnc(C)c2c1C
Show InChI InChI=1S/C17H19N3O/c1-10-16-12(3)20(13(4)17(16)11(2)19-18-10)14-6-8-15(21-5)9-7-14/h6-9H,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140661
PNG
(6-(3-Ethoxy-phenyl)-1,4,5,7-tetramethyl-6H-pyrrolo...)
Show SMILES CCOc1cccc(c1)-n1c(C)c2c(C)nnc(C)c2c1C
Show InChI InChI=1S/C18H21N3O/c1-6-22-16-9-7-8-15(10-16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5/h7-10H,6H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140646
PNG
(CHEMBL415465 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethy...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccncc3)c2c1C
Show InChI InChI=1S/C22H23N5O/c1-5-28-19-8-6-18(7-9-19)27-15(3)20-14(2)25-26-22(21(20)16(27)4)24-17-10-12-23-13-11-17/h6-13H,5H2,1-4H3,(H,23,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50140638
PNG
(CHEMBL280835 | N-[6-(4-Ethoxy-phenyl)-4,5,7-trimet...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc(N)cc3)c2c1C
Show InChI InChI=1S/C23H25N5O/c1-5-29-20-12-10-19(11-13-20)28-15(3)21-14(2)26-27-23(22(21)16(28)4)25-18-8-6-17(24)7-9-18/h6-13H,5,24H2,1-4H3,(H,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50240825
PNG
(CHEMBL4103967)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)[C@H](CCCNC(=O)COc1ccc(cc1C(O)=O)-c1ccc(F)cc1F)NC(=O)CC[C@H](NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C201H278ClF2N47O61/c1-19-103(10)166(194(301)226-107(14)172(279)236-144(81-116-87-217-129-38-27-26-37-123(116)129)184(291)238-140(76-100(4)5)185(292)247-164(101(6)7)192(299)235-132(42-32-70-216-201(209)210)176(283)218-89-154(261)228-131(41-31-69-215-200(207)208)175(282)221-92-163(274)275)249-186(293)142(77-111-33-22-20-23-34-111)239-181(288)137(59-66-161(270)271)234-180(287)133(39-28-29-67-212-157(264)96-311-74-73-310-72-71-214-174(281)130(40-30-68-213-158(265)97-312-150-61-47-115(80-126(150)198(305)306)122-54-50-118(203)82-127(122)204)227-152(259)63-56-138(199(307)308)230-153(260)85-124-108(15)251(149-60-53-121(309-18)84-125(124)149)197(304)114-45-48-117(202)49-46-114)231-170(277)105(12)223-169(276)104(11)225-179(286)136(55-62-151(206)258)229-155(262)90-219-178(285)135(58-65-160(268)269)233-182(289)139(75-99(2)3)237-183(290)141(79-113-43-51-120(257)52-44-113)240-189(296)146(93-252)243-191(298)148(95-254)244-193(300)165(102(8)9)248-188(295)145(86-162(272)273)241-190(297)147(94-253)245-196(303)168(110(17)256)250-187(294)143(78-112-35-24-21-25-36-112)242-195(302)167(109(16)255)246-156(263)91-220-177(284)134(57-64-159(266)267)232-171(278)106(13)224-173(280)128(205)83-119-88-211-98-222-119/h20-27,33-38,43-54,60-61,80,82,84,87-88,98-107,109-110,128,130-148,164-168,217,252-257H,19,28-32,39-42,55-59,62-79,81,83,85-86,89-97,205H2,1-18H3,(H2,206,258)(H,211,222)(H,212,264)(H,213,265)(H,214,281)(H,218,283)(H,219,285)(H,220,284)(H,221,282)(H,223,276)(H,224,280)(H,225,286)(H,226,301)(H,227,259)(H,228,261)(H,229,262)(H,230,260)(H,231,277)(H,232,278)(H,233,289)(H,234,287)(H,235,299)(H,236,279)(H,237,290)(H,238,291)(H,239,288)(H,240,296)(H,241,297)(H,242,302)(H,243,298)(H,244,300)(H,245,303)(H,246,263)(H,247,292)(H,248,295)(H,249,293)(H,250,294)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,305,306)(H,307,308)(H4,207,208,215)(H4,209,210,216)/t103-,104-,105-,106-,107-,109+,110+,128-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,164-,165-,166-,167-,168-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.522n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...


J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50240824
PNG
(CHEMBL4062410)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COc1ccc(cc1C(O)=O)-c1ccc(F)cc1F)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C166H236F2N42O51/c1-17-83(10)134(161(256)188-87(14)140(235)196-116(64-94-68-179-103-35-25-24-34-99(94)103)151(246)198-112(59-80(4)5)152(247)207-132(81(6)7)159(254)195-105(38-29-57-178-166(173)174)143(238)180-70-123(218)189-104(37-28-56-177-165(171)172)142(237)183-73-131(230)231)209-153(248)114(60-90-30-20-18-21-31-90)199-148(243)110(49-54-129(226)227)194-147(242)106(36-26-27-55-176-126(221)77-261-121-50-41-93(63-100(121)164(259)260)98-45-42-95(167)65-101(98)168)191-138(233)85(12)185-137(232)84(11)187-146(241)109(46-51-122(170)217)190-124(219)71-181-145(240)108(48-53-128(224)225)193-149(244)111(58-79(2)3)197-150(245)113(62-92-39-43-97(216)44-40-92)200-156(251)118(74-211)203-158(253)120(76-213)204-160(255)133(82(8)9)208-155(250)117(67-130(228)229)201-157(252)119(75-212)205-163(258)136(89(16)215)210-154(249)115(61-91-32-22-19-23-33-91)202-162(257)135(88(15)214)206-125(220)72-182-144(239)107(47-52-127(222)223)192-139(234)86(13)186-141(236)102(169)66-96-69-175-78-184-96/h18-25,30-35,39-45,50,63,65,68-69,78-89,102,104-120,132-136,179,211-216H,17,26-29,36-38,46-49,51-62,64,66-67,70-77,169H2,1-16H3,(H2,170,217)(H,175,184)(H,176,221)(H,180,238)(H,181,240)(H,182,239)(H,183,237)(H,185,232)(H,186,236)(H,187,241)(H,188,256)(H,189,218)(H,190,219)(H,191,233)(H,192,234)(H,193,244)(H,194,242)(H,195,254)(H,196,235)(H,197,245)(H,198,246)(H,199,243)(H,200,251)(H,201,252)(H,202,257)(H,203,253)(H,204,255)(H,205,258)(H,206,220)(H,207,247)(H,208,250)(H,209,248)(H,210,249)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,259,260)(H4,171,172,177)(H4,173,174,178)/t83-,84-,85-,86-,87-,88+,89+,102-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,132-,133-,134-,135-,136-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.148n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...


J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50240510
PNG
(CHEMBL898 | DIFLUNISAL)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F
Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
MMDB
PDB
Article
PubMed
n/an/an/a 3.00E+3n/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin


J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50240823
PNG
(CHEMBL4083273)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COc1ccc(cc1C(O)=O)-c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C166H238N42O51/c1-17-85(10)134(161(254)186-89(14)140(233)194-116(67-97-70-177-103-40-28-27-39-100(97)103)151(244)196-112(62-82(4)5)152(245)205-132(83(6)7)159(252)193-105(43-32-60-176-166(171)172)143(236)178-72-123(216)187-104(42-31-59-175-165(169)170)142(235)181-75-131(228)229)207-153(246)114(63-92-33-21-18-22-34-92)197-148(241)110(52-57-129(224)225)192-147(240)106(41-29-30-58-174-126(219)79-259-121-53-46-96(66-101(121)164(257)258)95-37-25-20-26-38-95)189-138(231)87(12)183-137(230)86(11)185-146(239)109(49-54-122(168)215)188-124(217)73-179-145(238)108(51-56-128(222)223)191-149(242)111(61-81(2)3)195-150(243)113(65-94-44-47-99(214)48-45-94)198-156(249)118(76-209)201-158(251)120(78-211)202-160(253)133(84(8)9)206-155(248)117(69-130(226)227)199-157(250)119(77-210)203-163(256)136(91(16)213)208-154(247)115(64-93-35-23-19-24-36-93)200-162(255)135(90(15)212)204-125(218)74-180-144(237)107(50-55-127(220)221)190-139(232)88(13)184-141(234)102(167)68-98-71-173-80-182-98/h18-28,33-40,44-48,53,66,70-71,80-91,102,104-120,132-136,177,209-214H,17,29-32,41-43,49-52,54-65,67-69,72-79,167H2,1-16H3,(H2,168,215)(H,173,182)(H,174,219)(H,178,236)(H,179,238)(H,180,237)(H,181,235)(H,183,230)(H,184,234)(H,185,239)(H,186,254)(H,187,216)(H,188,217)(H,189,231)(H,190,232)(H,191,242)(H,192,240)(H,193,252)(H,194,233)(H,195,243)(H,196,244)(H,197,241)(H,198,249)(H,199,250)(H,200,255)(H,201,251)(H,202,253)(H,203,256)(H,204,218)(H,205,245)(H,206,248)(H,207,246)(H,208,247)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,257,258)(H4,169,170,175)(H4,171,172,176)/t85-,86-,87-,88-,89-,90+,91+,102-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,132-,133-,134-,135-,136-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.118n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50240822
PNG
(CHEMBL4079706)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(=O)COc1ccc(cc1C(O)=O)-c1ccc(F)cc1F)NC(=O)CC[C@H](NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C195H267ClF2N46O58/c1-19-98(10)160(188(293)219-102(14)166(271)229-139(77-111-83-210-124-38-27-26-37-118(111)124)178(283)231-135(72-95(4)5)179(284)240-158(96(6)7)186(291)228-127(42-32-70-209-195(203)204)170(275)211-85-149(254)221-126(41-31-69-208-194(201)202)169(274)214-88-157(266)267)242-180(285)137(73-106-33-22-20-23-34-106)232-175(280)132(59-66-155(262)263)227-174(279)128(39-28-29-67-207-168(273)125(40-30-68-206-152(257)92-302-145-61-47-110(76-121(145)192(297)298)117-54-50-113(197)78-122(117)198)220-147(252)63-56-133(193(299)300)223-148(253)81-119-103(15)244(144-60-53-116(301-18)80-120(119)144)191(296)109-45-48-112(196)49-46-109)224-164(269)100(12)216-163(268)99(11)218-173(278)131(55-62-146(200)251)222-150(255)86-212-172(277)130(58-65-154(260)261)226-176(281)134(71-94(2)3)230-177(282)136(75-108-43-51-115(250)52-44-108)233-183(288)141(89-245)236-185(290)143(91-247)237-187(292)159(97(8)9)241-182(287)140(82-156(264)265)234-184(289)142(90-246)238-190(295)162(105(17)249)243-181(286)138(74-107-35-24-21-25-36-107)235-189(294)161(104(16)248)239-151(256)87-213-171(276)129(57-64-153(258)259)225-165(270)101(13)217-167(272)123(199)79-114-84-205-93-215-114/h20-27,33-38,43-54,60-61,76,78,80,83-84,93-102,104-105,123,125-143,158-162,210,245-250H,19,28-32,39-42,55-59,62-75,77,79,81-82,85-92,199H2,1-18H3,(H2,200,251)(H,205,215)(H,206,257)(H,207,273)(H,211,275)(H,212,277)(H,213,276)(H,214,274)(H,216,268)(H,217,272)(H,218,278)(H,219,293)(H,220,252)(H,221,254)(H,222,255)(H,223,253)(H,224,269)(H,225,270)(H,226,281)(H,227,279)(H,228,291)(H,229,271)(H,230,282)(H,231,283)(H,232,280)(H,233,288)(H,234,289)(H,235,294)(H,236,290)(H,237,292)(H,238,295)(H,239,256)(H,240,284)(H,241,287)(H,242,285)(H,243,286)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,297,298)(H,299,300)(H4,201,202,208)(H4,203,204,209)/t98-,99-,100-,101-,102-,104+,105+,123-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,158-,159-,160-,161-,162-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.547n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...


J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50240821
PNG
(CHEMBL4100575)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COc1ccc(cc1C(O)=O)-c1ccc(F)cc1F)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C172H247F2N43O54/c1-17-88(10)140(167(264)195-92(14)146(243)203-121(68-99-72-186-108-35-25-24-34-104(99)108)157(254)205-117(63-85(4)5)158(255)214-138(86(6)7)165(262)202-110(38-29-57-185-172(179)180)149(246)187-74-128(225)196-109(37-28-56-184-171(177)178)148(245)190-77-137(238)239)216-159(256)119(64-95-30-20-18-21-31-95)206-154(251)115(49-54-135(234)235)201-153(250)111(36-26-27-55-182-131(228)81-270-61-60-269-59-58-183-132(229)82-271-126-50-41-98(67-105(126)170(267)268)103-45-42-100(173)69-106(103)174)198-144(241)90(12)192-143(240)89(11)194-152(249)114(46-51-127(176)224)197-129(226)75-188-151(248)113(48-53-134(232)233)200-155(252)116(62-84(2)3)204-156(253)118(66-97-39-43-102(223)44-40-97)207-162(259)123(78-218)210-164(261)125(80-220)211-166(263)139(87(8)9)215-161(258)122(71-136(236)237)208-163(260)124(79-219)212-169(266)142(94(16)222)217-160(257)120(65-96-32-22-19-23-33-96)209-168(265)141(93(15)221)213-130(227)76-189-150(247)112(47-52-133(230)231)199-145(242)91(13)193-147(244)107(175)70-101-73-181-83-191-101/h18-25,30-35,39-45,50,67,69,72-73,83-94,107,109-125,138-142,186,218-223H,17,26-29,36-38,46-49,51-66,68,70-71,74-82,175H2,1-16H3,(H2,176,224)(H,181,191)(H,182,228)(H,183,229)(H,187,246)(H,188,248)(H,189,247)(H,190,245)(H,192,240)(H,193,244)(H,194,249)(H,195,264)(H,196,225)(H,197,226)(H,198,241)(H,199,242)(H,200,252)(H,201,250)(H,202,262)(H,203,243)(H,204,253)(H,205,254)(H,206,251)(H,207,259)(H,208,260)(H,209,265)(H,210,261)(H,211,263)(H,212,266)(H,213,227)(H,214,255)(H,215,258)(H,216,256)(H,217,257)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,267,268)(H4,177,178,184)(H4,179,180,185)/t88-,89-,90-,91-,92-,93+,94+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,138-,139-,140-,141-,142-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.221n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...


J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50240820
PNG
(CHEMBL4073765)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C175H249ClN44O53/c1-19-88(10)142(169(267)196-92(14)148(246)205-123(69-100-74-187-109-37-27-26-36-105(100)109)159(257)207-119(65-85(4)5)160(258)216-140(86(6)7)167(265)204-111(40-31-63-186-175(181)182)151(249)188-76-132(230)197-110(39-30-62-185-174(179)180)150(248)191-79-139(241)242)218-161(259)121(66-96-32-22-20-23-33-96)208-156(254)116(54-60-137(237)238)203-155(253)112(38-28-29-61-184-130(228)57-51-117(173(271)272)199-131(229)72-106-93(15)220(128-55-49-104(273-18)71-107(106)128)172(270)99-43-45-101(176)46-44-99)200-146(244)90(12)193-145(243)89(11)195-154(252)115(50-56-129(178)227)198-133(231)77-189-153(251)114(53-59-136(235)236)202-157(255)118(64-84(2)3)206-158(256)120(68-98-41-47-103(226)48-42-98)209-164(262)125(80-221)212-166(264)127(82-223)213-168(266)141(87(8)9)217-163(261)124(73-138(239)240)210-165(263)126(81-222)214-171(269)144(95(17)225)219-162(260)122(67-97-34-24-21-25-35-97)211-170(268)143(94(16)224)215-134(232)78-190-152(250)113(52-58-135(233)234)201-147(245)91(13)194-149(247)108(177)70-102-75-183-83-192-102/h20-27,32-37,41-49,55,71,74-75,83-92,94-95,108,110-127,140-144,187,221-226H,19,28-31,38-40,50-54,56-70,72-73,76-82,177H2,1-18H3,(H2,178,227)(H,183,192)(H,184,228)(H,188,249)(H,189,251)(H,190,250)(H,191,248)(H,193,243)(H,194,247)(H,195,252)(H,196,267)(H,197,230)(H,198,231)(H,199,229)(H,200,244)(H,201,245)(H,202,255)(H,203,253)(H,204,265)(H,205,246)(H,206,256)(H,207,257)(H,208,254)(H,209,262)(H,210,263)(H,211,268)(H,212,264)(H,213,266)(H,214,269)(H,215,232)(H,216,258)(H,217,261)(H,218,259)(H,219,260)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,271,272)(H4,179,180,185)(H4,181,182,186)/t88-,89-,90-,91-,92-,94+,95+,108-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,140-,141-,142-,143-,144-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0680n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...


J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50152769
PNG
(CHEMBL410972 | GLP-1(7-36)-NH2 | GLP-17-(7-36) der...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:156.159,142.150,134.137,164.169,119.121,167.172,105.111,95.99,77.87,60.66,47.53,37.38,19.25,4.4,181.184,203.208,wD:151.154,123.133,113.117,101.103,89.93,69.74,42.43,28.34,8.16,2.2,176.180,195.200,210.215,223.228,(82.22,1.34,;82.22,-.2,;83.55,-.98,;84.89,-.21,;83.55,-2.52,;82.22,-3.29,;80.88,-2.53,;80.88,-.98,;79.55,-3.29,;79.55,-4.83,;80.88,-5.61,;82.22,-4.83,;83.55,-5.6,;83.56,-7.14,;82.23,-7.91,;80.89,-7.15,;78.21,-2.53,;76.87,-3.3,;76.87,-4.84,;75.55,-2.53,;75.55,-.99,;76.87,-.21,;76.87,1.33,;75.55,2.1,;78.21,2.09,;74.21,-3.3,;72.88,-2.53,;72.88,-.99,;71.54,-3.3,;71.54,-4.84,;72.88,-5.62,;72.88,-7.16,;74.21,-7.92,;74.21,-9.46,;70.2,-2.54,;68.87,-3.31,;68.87,-4.84,;67.53,-2.54,;67.53,-1,;66.21,-3.31,;64.87,-2.54,;64.87,-1,;63.53,-3.31,;63.53,-4.85,;62.2,-2.55,;60.86,-3.32,;60.86,-4.85,;59.53,-2.55,;59.53,-1.01,;60.86,-.23,;60.86,1.31,;59.52,2.08,;62.19,2.08,;58.19,-3.32,;56.86,-2.55,;56.86,-1.01,;55.53,-3.32,;54.19,-2.56,;52.86,-3.32,;52.86,-4.86,;51.52,-2.56,;51.52,-1.01,;52.86,-.24,;52.86,1.3,;51.51,2.07,;54.18,2.07,;50.19,-3.33,;48.85,-2.56,;48.85,-1.02,;47.51,-3.33,;47.51,-4.87,;48.85,-5.64,;48.85,-7.18,;50.19,-4.87,;46.18,-2.56,;44.85,-3.33,;44.85,-4.87,;43.52,-2.57,;43.52,-1.02,;44.85,-.25,;46.18,-1.02,;47.51,-.24,;47.5,1.3,;48.84,2.06,;46.17,2.06,;44.84,1.29,;42.18,-3.34,;40.84,-2.57,;40.84,-1.03,;39.51,-3.34,;39.51,-4.88,;40.84,-5.65,;38.17,-2.57,;36.84,-3.34,;36.84,-4.88,;35.5,-2.58,;35.5,-1.03,;36.84,-.26,;34.17,-3.35,;32.84,-2.58,;32.84,-1.04,;31.49,-3.35,;30.17,-2.58,;28.82,-3.35,;28.82,-4.89,;27.5,-2.59,;27.5,-1.04,;28.82,-.27,;30.16,-1.04,;28.82,1.28,;26.15,-3.36,;24.83,-2.6,;24.83,-1.05,;23.49,-3.37,;23.49,-4.9,;24.83,-5.68,;22.16,-2.6,;20.82,-3.37,;20.82,-4.91,;19.49,-2.6,;18.14,-3.37,;16.82,-2.61,;16.82,-1.06,;15.47,-3.37,;15.47,-4.91,;16.82,-5.69,;18.15,-4.91,;19.49,-5.68,;19.49,-7.22,;18.15,-7.99,;16.82,-7.23,;14.15,-2.61,;12.81,-3.38,;12.81,-4.92,;11.48,-2.61,;10.14,-3.38,;8.81,-2.62,;8.81,-1.07,;7.47,-3.38,;6.14,-2.62,;4.79,-3.39,;4.79,-4.92,;3.47,-2.62,;3.47,-1.08,;4.79,-.3,;4.79,1.24,;3.47,2.01,;6.13,2.01,;2.13,-3.39,;.8,-2.62,;.8,-1.08,;-.54,-3.39,;-.54,-4.93,;-1.87,-2.63,;-3.21,-3.39,;-3.21,-4.93,;-4.55,-2.63,;-5.87,-3.39,;-4.55,-1.09,;-3.21,-.31,;-1.8,-.94,;-.77,.21,;-1.55,1.55,;-3.05,1.22,;11.48,-1.07,;10.14,-.29,;12.81,-.3,;19.49,-1.05,;18.14,-.28,;20.82,-.28,;31.49,-4.89,;32.84,-5.66,;30.17,-5.66,;84.89,-3.29,;84.89,-4.83,;86.23,-2.52,;87.55,-3.28,;87.55,-4.82,;88.89,-2.52,;88.89,-.96,;90.22,-3.28,;91.56,-2.51,;91.56,-.96,;92.89,-.19,;94.3,-.81,;95.34,.33,;94.56,1.66,;95.03,3.13,;94,4.28,;92.5,3.96,;92.02,2.49,;93.05,1.35,;92.89,-3.28,;92.89,-4.81,;94.23,-2.51,;95.57,-3.27,;95.57,-4.81,;96.9,-5.58,;96.9,-7.12,;98.24,-4.81,;96.9,-2.5,;96.9,-.96,;98.23,-3.26,;99.57,-2.5,;99.57,-.95,;100.9,-.18,;98.23,-.18,;100.9,-3.26,;100.9,-4.8,;102.24,-2.49,;103.57,-3.26,;103.57,-4.8,;104.91,-5.57,;104.91,-7.11,;106.25,-7.88,;106.25,-9.42,;104.91,-2.49,;104.91,-.95,;106.24,-3.26,;107.58,-2.49,;108.91,-3.25,;108.91,-4.79,;110.25,-2.48,;111.58,-3.25,;111.58,-4.79,;112.92,-5.56,;112.92,-7.1,;114.26,-7.87,;114.26,-9.41,;112.92,-10.18,;115.6,-10.18,;112.92,-2.48,;114.25,-3.25,;112.92,-.94,)|
Show InChI InChI=1S/C149H226N40O45/c1-17-76(10)119(146(232)167-80(14)126(212)175-104(60-86-63-159-91-36-25-24-35-89(86)91)136(222)177-100(56-73(4)5)137(223)186-117(74(6)7)144(230)174-93(37-26-28-52-150)128(214)160-65-110(197)168-92(122(154)208)39-30-54-158-149(155)156)188-138(224)102(57-83-31-20-18-21-32-83)178-133(219)98(47-51-115(204)205)173-132(218)94(38-27-29-53-151)170-124(210)78(12)164-123(209)77(11)166-131(217)97(44-48-109(153)196)169-111(198)66-161-130(216)96(46-50-114(202)203)172-134(220)99(55-72(2)3)176-135(221)101(59-85-40-42-88(195)43-41-85)179-141(227)106(68-190)182-143(229)108(70-192)183-145(231)118(75(8)9)187-140(226)105(62-116(206)207)180-142(228)107(69-191)184-148(234)121(82(16)194)189-139(225)103(58-84-33-22-19-23-34-84)181-147(233)120(81(15)193)185-112(199)67-162-129(215)95(45-49-113(200)201)171-125(211)79(13)165-127(213)90(152)61-87-64-157-71-163-87/h18-25,31-36,40-43,63-64,71-82,90,92-108,117-121,159,190-195H,17,26-30,37-39,44-62,65-70,150-152H2,1-16H3,(H2,153,196)(H2,154,208)(H,157,163)(H,160,214)(H,161,216)(H,162,215)(H,164,209)(H,165,213)(H,166,217)(H,167,232)(H,168,197)(H,169,198)(H,170,210)(H,171,211)(H,172,220)(H,173,218)(H,174,230)(H,175,212)(H,176,221)(H,177,222)(H,178,219)(H,179,227)(H,180,228)(H,181,233)(H,182,229)(H,183,231)(H,184,234)(H,185,199)(H,186,223)(H,187,226)(H,188,224)(H,189,225)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H4,155,156,158)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,121-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0440n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...


J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50121394
PNG
(CHEMBL3616711)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C151H228N42O47/c1-17-76(10)120(147(238)171-80(14)126(217)179-104(59-86-62-162-91-35-25-24-34-89(86)91)137(228)181-100(55-73(4)5)138(229)190-118(74(6)7)145(236)178-93(38-29-53-161-151(157)158)129(220)163-64-110(201)172-92(37-28-52-160-150(155)156)128(219)166-67-117(212)213)192-139(230)102(56-83-30-20-18-21-31-83)182-134(225)98(46-50-115(208)209)177-133(224)94(36-26-27-51-152)174-124(215)78(12)168-123(214)77(11)170-132(223)97(43-47-109(154)200)173-111(202)65-164-131(222)96(45-49-114(206)207)176-135(226)99(54-72(2)3)180-136(227)101(58-85-39-41-88(199)42-40-85)183-142(233)106(68-194)186-144(235)108(70-196)187-146(237)119(75(8)9)191-141(232)105(61-116(210)211)184-143(234)107(69-195)188-149(240)122(82(16)198)193-140(231)103(57-84-32-22-19-23-33-84)185-148(239)121(81(15)197)189-112(203)66-165-130(221)95(44-48-113(204)205)175-125(216)79(13)169-127(218)90(153)60-87-63-159-71-167-87/h18-25,30-35,39-42,62-63,71-82,90,92-108,118-122,162,194-199H,17,26-29,36-38,43-61,64-70,152-153H2,1-16H3,(H2,154,200)(H,159,167)(H,163,220)(H,164,222)(H,165,221)(H,166,219)(H,168,214)(H,169,218)(H,170,223)(H,171,238)(H,172,201)(H,173,202)(H,174,215)(H,175,216)(H,176,226)(H,177,224)(H,178,236)(H,179,217)(H,180,227)(H,181,228)(H,182,225)(H,183,233)(H,184,234)(H,185,239)(H,186,235)(H,187,237)(H,188,240)(H,189,203)(H,190,229)(H,191,232)(H,192,230)(H,193,231)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H4,155,156,160)(H4,157,158,161)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,118-,119-,120-,121-,122-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0230n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...


J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50240819
PNG
(CHEMBL4084119)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C172H265N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-37-53-129(224)195-116(170(265)266)59-64-128(223)180-68-41-40-50-111(153(248)199-115(62-67-135(232)233)154(249)204-120(73-100-44-33-31-34-45-100)159(254)214-140(93(11)19-2)167(262)192-97(15)146(241)201-122(76-103-79-183-108-49-39-38-48-106(103)108)157(252)203-118(72-90(5)6)158(253)212-138(91(7)8)165(260)200-110(52-43-70-182-172(177)178)149(244)184-81-130(225)193-109(51-42-69-181-171(175)176)148(243)187-84-137(236)237)196-144(239)95(13)189-143(238)94(12)191-152(247)114(58-63-127(174)222)194-131(226)82-185-151(246)113(61-66-134(230)231)198-155(250)117(71-89(3)4)202-156(251)119(75-102-54-56-105(221)57-55-102)205-162(257)124(85-216)208-164(259)126(87-218)209-166(261)139(92(9)10)213-161(256)123(78-136(234)235)206-163(258)125(86-217)210-169(264)142(99(17)220)215-160(255)121(74-101-46-35-32-36-47-101)207-168(263)141(98(16)219)211-132(227)83-186-150(245)112(60-65-133(228)229)197-145(240)96(14)190-147(242)107(173)77-104-80-179-88-188-104/h31-36,38-39,44-49,54-57,79-80,88-99,107,109-126,138-142,183,216-221H,18-30,37,40-43,50-53,58-78,81-87,173H2,1-17H3,(H2,174,222)(H,179,188)(H,180,223)(H,184,244)(H,185,246)(H,186,245)(H,187,243)(H,189,238)(H,190,242)(H,191,247)(H,192,262)(H,193,225)(H,194,226)(H,195,224)(H,196,239)(H,197,240)(H,198,250)(H,199,248)(H,200,260)(H,201,241)(H,202,251)(H,203,252)(H,204,249)(H,205,257)(H,206,258)(H,207,263)(H,208,259)(H,209,261)(H,210,264)(H,211,227)(H,212,253)(H,213,256)(H,214,254)(H,215,255)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,265,266)(H4,175,176,181)(H4,177,178,182)/t93-,94-,95-,96-,97-,98+,99+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,138-,139-,140-,141-,142-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0670n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...


J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/an/a 700n/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin


J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)