BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 140 hits with Last Name = 'anderson' and Initial = 'dl'   
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
Ileal sodium/bile acid cotransporter


(Rattus norvegicus)		BDBM50434850
PNG
(CHEMBL2387397)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C25H34N2O5S/c1-4-6-12-25(5-2)17-33(30,31)22-13-19(15-26-16-23(28)29)21(32-3)14-20(22)24(27-25)18-10-8-7-9-11-18/h7-11,13-14,24,26-27H,4-6,12,15-17H2,1-3H3,(H,28,29)/t24-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Mus musculus)		BDBM50434850
PNG
(CHEMBL2387397)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C25H34N2O5S/c1-4-6-12-25(5-2)17-33(30,31)22-13-19(15-26-16-23(28)29)21(32-3)14-20(22)24(27-25)18-10-8-7-9-11-18/h7-11,13-14,24,26-27H,4-6,12,15-17H2,1-3H3,(H,28,29)/t24-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50418490
PNG
(CHEMBL1784385)
Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1ccccc1 |r,THB:18:17:11.10.16:13.14|
Show InChI InChI=1S/C33H44N4O/c1-24-34-29-12-8-9-13-30(29)37(24)28-22-26-14-15-27(23-28)36(26)21-18-33(25-10-6-5-7-11-25)16-19-35(20-17-33)31(38)32(2,3)4/h5-13,26-28H,14-23H2,1-4H3/t26-,27+,28+
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.355n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting

J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Mus musculus)		BDBM50434849
PNG
(CHEMBL2385105 | US9040518, 6)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CP(O)(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C23H32NO6PS/c1-4-6-12-23(5-2)16-32(28,29)21-13-18(15-31(25,26)27)20(30-3)14-19(21)22(24-23)17-10-8-7-9-11-17/h7-11,13-14,22,24H,4-6,12,15-16H2,1-3H3,(H2,25,26,27)/t22-,23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Rattus norvegicus)		BDBM50434849
PNG
(CHEMBL2385105 | US9040518, 6)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CP(O)(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C23H32NO6PS/c1-4-6-12-23(5-2)16-32(28,29)21-13-18(15-31(25,26)27)20(30-3)14-19(21)22(24-23)17-10-8-7-9-11-17/h7-11,13-14,22,24H,4-6,12,15-16H2,1-3H3,(H2,25,26,27)/t22-,23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Mus musculus)		BDBM50434846
PNG
(CHEMBL2387399 | US9040518, 35)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36N2O6S2/c1-4-6-12-25(5-2)18-34(28,29)23-15-20(17-26-13-14-35(30,31)32)22(33-3)16-21(23)24(27-25)19-10-8-7-9-11-19/h7-11,15-16,24,26-27H,4-6,12-14,17-18H2,1-3H3,(H,30,31,32)/t24-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Rattus norvegicus)		BDBM47370
PNG
(BDBM50434858 | US9040518, 26)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(O)=O)CC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434848
PNG
(CHEMBL2387520)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35NO5S/c1-4-6-15-26(5-2)18-33(30,31)23-16-20(13-10-14-24(28)29)22(32-3)17-21(23)25(27-26)19-11-8-7-9-12-19/h7-9,11-12,16-17,25,27H,4-6,10,13-15,18H2,1-3H3,(H,28,29)/t25-,26-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434847
PNG
(CHEMBL2387421 | US9040518, 3)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(C(=O)NCCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C25H34N2O7S2/c1-4-6-12-25(5-2)17-35(29,30)22-16-19(24(28)26-13-14-36(31,32)33)21(34-3)15-20(22)23(27-25)18-10-8-7-9-11-18/h7-11,15-16,23,27H,4-6,12-14,17H2,1-3H3,(H,26,28)(H,31,32,33)/t23-,25-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Mus musculus)		BDBM47370
PNG
(BDBM50434858 | US9040518, 26)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(O)=O)CC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Rattus norvegicus)		BDBM50434846
PNG
(CHEMBL2387399 | US9040518, 35)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36N2O6S2/c1-4-6-12-25(5-2)18-34(28,29)23-15-20(17-26-13-14-35(30,31)32)22(33-3)16-21(23)24(27-25)19-10-8-7-9-11-19/h7-11,15-16,24,26-27H,4-6,12-14,17-18H2,1-3H3,(H,30,31,32)/t24-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Mus musculus)		BDBM50134411
PNG
((7R,9R)-7-Butyl-7-ethyl-2,3-dimethoxy-9-phenyl-6,7...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OC)c(OC)cc2[C@H](N1)c1ccccc1
Show InChI InChI=1S/C23H31NO4S/c1-5-7-13-23(6-2)16-29(25,26)21-15-20(28-4)19(27-3)14-18(21)22(24-23)17-11-9-8-10-12-17/h8-12,14-15,22,24H,5-7,13,16H2,1-4H3/t22-,23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of mouse ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434850
PNG
(CHEMBL2387397)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C25H34N2O5S/c1-4-6-12-25(5-2)17-33(30,31)22-13-19(15-26-16-23(28)29)21(32-3)14-20(22)24(27-25)18-10-8-7-9-11-18/h7-11,13-14,24,26-27H,4-6,12,15-17H2,1-3H3,(H,28,29)/t24-,25-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434868
PNG
(CHEMBL2387521)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C23H31NO6S2/c1-4-6-12-23(5-2)16-31(25,26)21-13-18(15-32(27,28)29)20(30-3)14-19(21)22(24-23)17-10-8-7-9-11-17/h7-11,13-14,22,24H,4-6,12,15-16H2,1-3H3,(H,27,28,29)/t22-,23-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434869
PNG
(CHEMBL2387527)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C24H33NO7S2/c1-4-6-12-24(5-2)17-33(26,27)22-16-21(32-13-14-34(28,29)30)20(31-3)15-19(22)23(25-24)18-10-8-7-9-11-18/h7-11,15-16,23,25H,4-6,12-14,17H2,1-3H3,(H,28,29,30)/t23-,24-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434867
PNG
(CHEMBL2387522 | US9040518, 20)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C25H35NO6S2/c1-4-6-14-25(5-2)18-33(27,28)23-16-20(13-10-15-34(29,30)31)22(32-3)17-21(23)24(26-25)19-11-8-7-9-12-19/h7-9,11-12,16-17,24,26H,4-6,10,13-15,18H2,1-3H3,(H,29,30,31)/t24-,25-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50418505
PNG
(CHEMBL1784481)
Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C35H39ClN4O/c1-25-37-32-12-5-6-13-33(32)40(25)31-23-29-14-15-30(24-31)39(29)21-18-35(27-9-3-2-4-10-27)16-19-38(20-17-35)34(41)26-8-7-11-28(36)22-26/h2-13,22,29-31H,14-21,23-24H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting

J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434866
PNG
(CHEMBL2387510 | US9040518, 63)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(=O)C(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C25H32N2O6S/c1-4-6-12-25(5-2)16-34(31,32)21-13-18(15-26-23(28)24(29)30)20(33-3)14-19(21)22(27-25)17-10-8-7-9-11-17/h7-11,13-14,22,27H,4-6,12,15-16H2,1-3H3,(H,26,28)(H,29,30)/t22-,25-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50418547
PNG
(CHEMBL1784404)
Show SMILES CCc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H42N4O/c1-2-34-37-32-15-9-10-16-33(32)40(34)31-25-29-17-18-30(26-31)39(29)24-21-36(28-13-7-4-8-14-28)19-22-38(23-20-36)35(41)27-11-5-3-6-12-27/h3-16,29-31H,2,17-26H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 8.91n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting

J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434865
PNG
(CHEMBL2387511 | US9040518, 37)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(=O)CS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C25H34N2O7S2/c1-4-6-12-25(5-2)17-35(29,30)22-13-19(15-26-23(28)16-36(31,32)33)21(34-3)14-20(22)24(27-25)18-10-8-7-9-11-18/h7-11,13-14,24,27H,4-6,12,15-17H2,1-3H3,(H,26,28)(H,31,32,33)/t24-,25-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50418499
PNG
(CHEMBL1784400)
Show SMILES Cc1nc2cc(F)ccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H39FN4O/c1-25-37-32-22-28(36)12-15-33(32)40(25)31-23-29-13-14-30(24-31)39(29)21-18-35(27-10-6-3-7-11-27)16-19-38(20-17-35)34(41)26-8-4-2-5-9-26/h2-12,15,22,29-31H,13-14,16-21,23-24H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting

J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434864
PNG
(CHEMBL2387420 | US9040518, 2)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(C(=O)NCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C24H32N2O7S2/c1-4-6-12-24(5-2)15-34(28,29)21-14-18(23(27)25-16-35(30,31)32)20(33-3)13-19(21)22(26-24)17-10-8-7-9-11-17/h7-11,13-14,22,26H,4-6,12,15-16H2,1-3H3,(H,25,27)(H,30,31,32)/t22-,24-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434863
PNG
(CHEMBL2387526)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35NO6S/c1-4-6-14-26(5-2)18-34(30,31)23-17-22(33-15-10-13-24(28)29)21(32-3)16-20(23)25(27-26)19-11-8-7-9-12-19/h7-9,11-12,16-17,25,27H,4-6,10,13-15,18H2,1-3H3,(H,28,29)/t25-,26-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50418489
PNG
(CHEMBL1784384)
Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |r,THB:18:17:11.10.16:13.14|
Show InChI InChI=1S/C35H40N4O/c1-26-36-32-14-8-9-15-33(32)39(26)31-24-29-16-17-30(25-31)38(29)23-20-35(28-12-6-3-7-13-28)18-21-37(22-19-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3/t29-,30+,31+
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting

J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50418541
PNG
(CHEMBL1784479)
Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C35H38Cl2N4O/c1-24-38-32-9-5-6-10-33(32)41(24)29-22-27-12-13-28(23-29)40(27)20-17-35(26-7-3-2-4-8-26)15-18-39(19-16-35)34(42)25-11-14-30(36)31(37)21-25/h2-11,14,21,27-29H,12-13,15-20,22-23H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting

J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434862
PNG
(CHEMBL2387519)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C25H33NO5S/c1-4-6-14-25(5-2)17-32(29,30)22-15-19(12-13-23(27)28)21(31-3)16-20(22)24(26-25)18-10-8-7-9-11-18/h7-11,15-16,24,26H,4-6,12-14,17H2,1-3H3,(H,27,28)/t24-,25-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50418548
PNG
(CHEMBL1784483)
Show SMILES COc1cccc(c1)C(=O)N1CCC(CCN2C3CCC2CC(C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1
Show InChI InChI=1S/C36H42N4O2/c1-26-37-33-13-6-7-14-34(33)40(26)31-24-29-15-16-30(25-31)39(29)22-19-36(28-10-4-3-5-11-28)17-20-38(21-18-36)35(41)27-9-8-12-32(23-27)42-2/h3-14,23,29-31H,15-22,24-25H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 17.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting

J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50418500
PNG
(CHEMBL1784401)
Show SMILES Cc1nc2cccnc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H39N5O/c1-25-36-31-13-8-19-35-32(31)39(25)30-23-28-14-15-29(24-30)38(28)22-18-34(27-11-6-3-7-12-27)16-20-37(21-17-34)33(40)26-9-4-2-5-10-26/h2-13,19,28-30H,14-18,20-24H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting

J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Rattus norvegicus)		BDBM50134411
PNG
((7R,9R)-7-Butyl-7-ethyl-2,3-dimethoxy-9-phenyl-6,7...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OC)c(OC)cc2[C@H](N1)c1ccccc1
Show InChI InChI=1S/C23H31NO4S/c1-5-7-13-23(6-2)16-29(25,26)21-15-20(28-4)19(27-3)14-18(21)22(24-23)17-11-9-8-10-12-17/h8-12,14-15,22,24H,5-7,13,16H2,1-4H3/t22-,23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434849
PNG
(CHEMBL2385105 | US9040518, 6)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CP(O)(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C23H32NO6PS/c1-4-6-12-23(5-2)16-32(28,29)21-13-18(15-31(25,26)27)20(30-3)14-19(21)22(24-23)17-10-8-7-9-11-17/h7-11,13-14,22,24H,4-6,12,15-16H2,1-3H3,(H2,25,26,27)/t22-,23-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50418504
PNG
(CHEMBL1784480)
Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(F)c(F)c1)c1ccccc1
Show InChI InChI=1S/C35H38F2N4O/c1-24-38-32-9-5-6-10-33(32)41(24)29-22-27-12-13-28(23-29)40(27)20-17-35(26-7-3-2-4-8-26)15-18-39(19-16-35)34(42)25-11-14-30(36)31(37)21-25/h2-11,14,21,27-29H,12-13,15-20,22-23H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting

J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434861
PNG
(CHEMBL2387525 | US9040518, 1)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(C(=O)NCC(C)(C)C(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C28H38N2O6S/c1-6-8-14-28(7-2)18-37(34,35)23-16-20(25(31)29-17-27(3,4)26(32)33)22(36-5)15-21(23)24(30-28)19-12-10-9-11-13-19/h9-13,15-16,24,30H,6-8,14,17-18H2,1-5H3,(H,29,31)(H,32,33)/t24-,28-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434860
PNG
(CHEMBL2387529)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C24H31NO6S/c1-4-6-12-24(5-2)16-32(28,29)21-14-20(31-15-22(26)27)19(30-3)13-18(21)23(25-24)17-10-8-7-9-11-17/h7-11,13-14,23,25H,4-6,12,15-16H2,1-3H3,(H,26,27)/t23-,24-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434859
PNG
(CHEMBL2387398 | US9040518, 49)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN(C)CC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C26H36N2O5S/c1-5-7-13-26(6-2)18-34(31,32)23-14-20(16-28(3)17-24(29)30)22(33-4)15-21(23)25(27-26)19-11-9-8-10-12-19/h8-12,14-15,25,27H,5-7,13,16-18H2,1-4H3,(H,29,30)/t25-,26-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM47370
PNG
(BDBM50434858 | US9040518, 26)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(O)=O)CC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434857
PNG
(CHEMBL2387517)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCP(O)(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C24H34NO7PS/c1-4-6-12-24(5-2)17-34(29,30)22-16-21(32-13-14-33(26,27)28)20(31-3)15-19(22)23(25-24)18-10-8-7-9-11-18/h7-11,15-16,23,25H,4-6,12-14,17H2,1-3H3,(H2,26,27,28)/t23-,24-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 44n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434856
PNG
(CHEMBL2387403)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN[C@@H](CC(O)=O)C(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C27H36N2O7S/c1-4-6-12-27(5-2)17-37(34,35)23-13-19(16-28-21(26(32)33)15-24(30)31)22(36-3)14-20(23)25(29-27)18-10-8-7-9-11-18/h7-11,13-14,21,25,28-29H,4-6,12,15-17H2,1-3H3,(H,30,31)(H,32,33)/t21-,25+,27+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434855
PNG
(CHEMBL2387528)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C25H35NO7S2/c1-4-6-13-25(5-2)18-34(27,28)23-17-22(33-14-10-15-35(29,30)31)21(32-3)16-20(23)24(26-25)19-11-8-7-9-12-19/h7-9,11-12,16-17,24,26H,4-6,10,13-15,18H2,1-3H3,(H,29,30,31)/t24-,25-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434853
PNG
(CHEMBL2387524 | US9040518, 21)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCCP(O)(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36NO6PS/c1-4-6-14-25(5-2)18-34(30,31)23-16-20(13-10-15-33(27,28)29)22(32-3)17-21(23)24(26-25)19-11-8-7-9-12-19/h7-9,11-12,16-17,24,26H,4-6,10,13-15,18H2,1-3H3,(H2,27,28,29)/t24-,25-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 51n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434854
PNG
(CHEMBL2387523 | US9040518, 51)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCP(O)(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C24H34NO6PS/c1-4-6-13-24(5-2)17-33(29,30)22-15-19(12-14-32(26,27)28)21(31-3)16-20(22)23(25-24)18-10-8-7-9-11-18/h7-11,15-16,23,25H,4-6,12-14,17H2,1-3H3,(H2,26,27,28)/t23-,24-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 51n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434846
PNG
(CHEMBL2387399 | US9040518, 35)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36N2O6S2/c1-4-6-12-25(5-2)18-34(28,29)23-15-20(17-26-13-14-35(30,31)32)22(33-3)16-21(23)24(27-25)19-10-8-7-9-11-19/h7-11,15-16,24,26-27H,4-6,12-14,17-18H2,1-3H3,(H,30,31,32)/t24-,25-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 54n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434852
PNG
(CHEMBL2387402)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN[C@H](CC(O)=O)C(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C27H36N2O7S/c1-4-6-12-27(5-2)17-37(34,35)23-13-19(16-28-21(26(32)33)15-24(30)31)22(36-3)14-20(23)25(29-27)18-10-8-7-9-11-18/h7-11,13-14,21,25,28-29H,4-6,12,15-17H2,1-3H3,(H,30,31)(H,32,33)/t21-,25-,27-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434851
PNG
(CHEMBL2387419 | US9040518, 52)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN[C@@H](CO)C(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C26H36N2O6S/c1-4-6-12-26(5-2)17-35(32,33)23-13-19(15-27-21(16-29)25(30)31)22(34-3)14-20(23)24(28-26)18-10-8-7-9-11-18/h7-11,13-14,21,24,27-29H,4-6,12,15-17H2,1-3H3,(H,30,31)/t21-,24+,26+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434845
PNG
(CHEMBL2387515)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(C(=O)NC(CC(O)=O)CC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C28H36N2O8S/c1-4-6-12-28(5-2)17-39(36,37)23-16-20(27(35)29-19(13-24(31)32)14-25(33)34)22(38-3)15-21(23)26(30-28)18-10-8-7-9-11-18/h7-11,15-16,19,26,30H,4-6,12-14,17H2,1-3H3,(H,29,35)(H,31,32)(H,33,34)/t26-,28-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 97n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50418498
PNG
(CHEMBL1784398)
Show SMILES FC(F)(F)c1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H37F3N4O/c36-35(37,38)33-39-30-13-7-8-14-31(30)42(33)29-23-27-15-16-28(24-29)41(27)22-19-34(26-11-5-2-6-12-26)17-20-40(21-18-34)32(43)25-9-3-1-4-10-25/h1-14,27-29H,15-24H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting

J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434844
PNG
(CHEMBL2387512 | US9040518, 42)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(=O)CCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C26H36N2O7S2/c1-4-6-13-26(5-2)18-36(30,31)23-15-20(17-27-24(29)12-14-37(32,33)34)22(35-3)16-21(23)25(28-26)19-10-8-7-9-11-19/h7-11,15-16,25,28H,4-6,12-14,17-18H2,1-3H3,(H,27,29)(H,32,33,34)/t25-,26-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 128n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434843
PNG
(CHEMBL2387518)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCCP(O)(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36NO7PS/c1-4-6-13-25(5-2)18-35(30,31)23-17-22(33-14-10-15-34(27,28)29)21(32-3)16-20(23)24(26-25)19-11-8-7-9-12-19/h7-9,11-12,16-17,24,26H,4-6,10,13-15,18H2,1-3H3,(H2,27,28,29)/t24-,25-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 133n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50434842
PNG
(CHEMBL2387509 | US9040518, 13)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC(=O)NCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
Show InChI InChI=1S/C26H36N2O7S2/c1-4-6-14-26(5-2)17-36(30,31)23-15-20(12-13-24(29)27-18-37(32,33)34)22(35-3)16-21(23)25(28-26)19-10-8-7-9-11-19/h7-11,15-16,25,28H,4-6,12-14,17-18H2,1-3H3,(H,27,29)(H,32,33,34)/t25-,26-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 167n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50418503
PNG
(CHEMBL1784478)
Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C35H39FN4O/c1-25-37-32-9-5-6-10-33(32)40(25)31-23-29-15-16-30(24-31)39(29)22-19-35(27-7-3-2-4-8-27)17-20-38(21-18-35)34(41)26-11-13-28(36)14-12-26/h2-14,29-31H,15-24H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 178n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting

J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50134411
PNG
((7R,9R)-7-Butyl-7-ethyl-2,3-dimethoxy-9-phenyl-6,7...)
Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OC)c(OC)cc2[C@H](N1)c1ccccc1
Show InChI InChI=1S/C23H31NO4S/c1-5-7-13-23(6-2)16-29(25,26)21-15-20(28-4)19(27-3)14-18(21)22(24-23)17-11-9-8-10-12-17/h8-12,14-15,22,24H,5-7,13,16H2,1-4H3/t22-,23-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

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



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...

J Med Chem 56: 5094-114 (2013)


Article DOI: 10.1021/jm400459m
BindingDB Entry DOI: 10.7270/Q2MC91D6
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 140 total )  |  Next  |  Last  >>
Jump to: