BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'wetterau' and Initial = 'jr'   
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098322
PNG
(9-(4-{5-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1ccc2n(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc34)cnc2c1NC(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C42H34F6N4O2/c1-26-16-21-35-37(36(26)51-38(53)32-13-3-2-10-29(32)27-17-19-28(20-18-27)42(46,47)48)50-25-52(35)23-9-8-22-40(39(54)49-24-41(43,44)45)33-14-6-4-11-30(33)31-12-5-7-15-34(31)40/h2-7,10-21,25H,8-9,22-24H2,1H3,(H,49,54)(H,51,53)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 0.0200n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098321
PNG
(9-(4-{2,5-Dimethyl-4-[(4'-trifluoromethyl-biphenyl...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)c(C)ccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C43H36F6N4O2/c1-26-17-22-36-38(37(26)52-39(54)33-14-4-3-11-30(33)28-18-20-29(21-19-28)43(47,48)49)51-27(2)53(36)24-10-9-23-41(40(55)50-25-42(44,45)46)34-15-7-5-12-31(34)32-13-6-8-16-35(32)41/h3-8,11-22H,9-10,23-25H2,1-2H3,(H,50,55)(H,52,54)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 0.0300n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098326
PNG
(9-(4-{2-Isopropyl-4-[(4'-trifluoromethyl-biphenyl-...)
Show SMILES CC(C)c1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C44H38F6N4O2/c1-27(2)39-53-38-36(52-40(55)33-15-4-3-12-30(33)28-20-22-29(23-21-28)44(48,49)50)18-11-19-37(38)54(39)25-10-9-24-42(41(56)51-26-43(45,46)47)34-16-7-5-13-31(34)32-14-6-8-17-35(32)42/h3-8,11-23,27H,9-10,24-26H2,1-2H3,(H,51,56)(H,52,55)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 0.0600n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098324
PNG
(9-(4-{2-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C42H34F6N4O2/c1-26-50-37-35(51-38(53)32-14-3-2-11-29(32)27-19-21-28(22-20-27)42(46,47)48)17-10-18-36(37)52(26)24-9-8-23-40(39(54)49-25-41(43,44)45)33-15-6-4-12-30(33)31-13-5-7-16-34(31)40/h2-7,10-22H,8-9,23-25H2,1H3,(H,49,54)(H,51,53)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 0.150n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098325
PNG
(9-(4-{4-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCn2cnc3c(NC(=O)c4ccccc4-c4ccc(cc4)C(F)(F)F)cccc23)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C41H32F6N4O2/c42-40(43,44)24-48-38(53)39(32-14-5-3-11-29(32)30-12-4-6-15-33(30)39)22-7-8-23-51-25-49-36-34(16-9-17-35(36)51)50-37(52)31-13-2-1-10-28(31)26-18-20-27(21-19-26)41(45,46)47/h1-6,9-21,25H,7-8,22-24H2,(H,48,53)(H,50,52)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 0.240n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098320
PNG
(9-(4-{4-[(4''-Trifluoromethyl-biphenyl-2-carbonyl)...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem

Patents

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



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098324
PNG
(9-(4-{2-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C42H34F6N4O2/c1-26-50-37-35(51-38(53)32-14-3-2-11-29(32)27-19-21-28(22-20-27)42(46,47)48)17-10-18-36(37)52(26)24-9-8-23-40(39(54)49-25-41(43,44)45)33-15-6-4-12-30(33)31-13-5-7-16-34(31)40/h2-7,10-22H,8-9,23-25H2,1H3,(H,49,54)(H,51,53)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098322
PNG
(9-(4-{5-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1ccc2n(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc34)cnc2c1NC(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C42H34F6N4O2/c1-26-16-21-35-37(36(26)51-38(53)32-13-3-2-10-29(32)27-17-19-28(20-18-27)42(46,47)48)50-25-52(35)23-9-8-22-40(39(54)49-24-41(43,44)45)33-14-6-4-11-30(33)31-12-5-7-15-34(31)40/h2-7,10-21,25H,8-9,22-24H2,1H3,(H,49,54)(H,51,53)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098321
PNG
(9-(4-{2,5-Dimethyl-4-[(4'-trifluoromethyl-biphenyl...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)c(C)ccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C43H36F6N4O2/c1-26-17-22-36-38(37(26)52-39(54)33-14-4-3-11-30(33)28-18-20-29(21-19-28)43(47,48)49)51-27(2)53(36)24-10-9-23-41(40(55)50-25-42(44,45)46)34-15-7-5-12-31(34)32-13-6-8-16-35(32)41/h3-8,11-22H,9-10,23-25H2,1-2H3,(H,50,55)(H,52,54)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098323
PNG
(9-(4-{2-Propyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES CCCc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C44H38F6N4O2/c1-2-12-38-53-39-36(52-40(55)33-16-4-3-13-30(33)28-21-23-29(24-22-28)44(48,49)50)19-11-20-37(39)54(38)26-10-9-25-42(41(56)51-27-43(45,46)47)34-17-7-5-14-31(34)32-15-6-8-18-35(32)42/h3-8,11,13-24H,2,9-10,12,25-27H2,1H3,(H,51,56)(H,52,55)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098326
PNG
(9-(4-{2-Isopropyl-4-[(4'-trifluoromethyl-biphenyl-...)
Show SMILES CC(C)c1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C44H38F6N4O2/c1-27(2)39-53-38-36(52-40(55)33-15-4-3-12-30(33)28-20-22-29(23-21-28)44(48,49)50)18-11-19-37(38)54(39)25-10-9-24-42(41(56)51-26-43(45,46)47)34-16-7-5-13-31(34)32-14-6-8-17-35(32)42/h3-8,11-23,27H,9-10,24-26H2,1-2H3,(H,51,56)(H,52,55)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098325
PNG
(9-(4-{4-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCn2cnc3c(NC(=O)c4ccccc4-c4ccc(cc4)C(F)(F)F)cccc23)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C41H32F6N4O2/c42-40(43,44)24-48-38(53)39(32-14-5-3-11-29(32)30-12-4-6-15-33(30)39)22-7-8-23-51-25-49-36-34(16-9-17-35(36)51)50-37(52)31-13-2-1-10-28(31)26-18-20-27(21-19-26)41(45,46)47/h1-6,9-21,25H,7-8,22-24H2,(H,48,53)(H,50,52)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098320
PNG
(9-(4-{4-[(4''-Trifluoromethyl-biphenyl-2-carbonyl)...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem

Patents

Similars
DrugBank
PubMed
n/an/a 8n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein using triglyceride transfer assay

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))		BDBM50098327
PNG
(9-(3-{4-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCn2cnc3c(NC(=O)c4ccccc4-c4ccc(cc4)C(F)(F)F)cccc23)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C40H30F6N4O2/c41-39(42,43)23-47-37(52)38(31-13-5-3-10-28(31)29-11-4-6-14-32(29)38)21-8-22-50-24-48-35-33(15-7-16-34(35)50)49-36(51)30-12-2-1-9-27(30)25-17-19-26(20-18-25)40(44,45)46/h1-7,9-20,24H,8,21-23H2,(H,47,52)(H,49,51)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)

J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50150998
PNG
(((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phe...)
Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Peroxisome proliferator activated receptor gamma

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50150998
PNG
(((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phe...)
Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Peroxisome proliferator activated receptor alpha

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PDB
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Peroxisome proliferator activated receptor gamma

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28680
PNG
(2-[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)am...)
Show SMILES CCCCCCCN(CCc1ccc(OC(C)(CC)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 316n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Peroxisome proliferator activated receptor gamma

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM28680
PNG
(2-[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)am...)
Show SMILES CCCCCCCN(CCc1ccc(OC(C)(CC)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 538n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Peroxisome proliferator activated receptor alpha

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50163728
PNG
((Benzyl-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-etho...)
Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2O4/c1-21-26(29-28(34-21)24-10-6-3-7-11-24)16-17-33-25-14-12-23(13-15-25)19-30(20-27(31)32)18-22-8-4-2-5-9-22/h2-15H,16-20H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Peroxisome proliferator activated receptor alpha

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50163728
PNG
((Benzyl-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-etho...)
Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2O4/c1-21-26(29-28(34-21)24-10-6-3-7-11-24)16-17-33-25-14-12-23(13-15-25)19-30(20-27(31)32)18-22-8-4-2-5-9-22/h2-15H,16-20H2,1H3,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Peroxisome proliferator activated receptor gamma

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Peroxisome proliferator activated receptor alpha

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Peroxisome proliferator activated receptor gamma

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Peroxisome proliferator activated receptor alpha

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effective concentration against human Peroxisome proliferator activated receptor alpha

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50150998
PNG
(((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phe...)
Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 110n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effective concentration against human Peroxisome proliferator activated receptor gamma

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effective concentration against human Peroxisome proliferator activated receptor gamma

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a>3.20E+4n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effective concentration against human Peroxisome proliferator activated receptor alpha

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50150998
PNG
(((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phe...)
Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effective concentration against human Peroxisome proliferator activated receptor alpha

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PDB
Article
PubMed
n/an/an/an/a 140n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effective concentration against human Peroxisome proliferator activated receptor gamma

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50163728
PNG
((Benzyl-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-etho...)
Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2O4/c1-21-26(29-28(34-21)24-10-6-3-7-11-24)16-17-33-25-14-12-23(13-15-25)19-30(20-27(31)32)18-22-8-4-2-5-9-22/h2-15H,16-20H2,1H3,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/an/an/a 1.50E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effective concentration against human Peroxisome proliferator activated receptor gamma

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28680
PNG
(2-[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)am...)
Show SMILES CCCCCCCN(CCc1ccc(OC(C)(CC)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/an/an/a 425n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effective concentration against human Peroxisome proliferator activated receptor gamma

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM20880
PNG
((2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)me...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 1.39E+3n/an/a7.222



Bristol-Myers Squibb Company



Assay Description
Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...

J Med Chem 51: 1145-9 (2008)


Article DOI: 10.1021/jm701272q
BindingDB Entry DOI: 10.7270/Q2PN93X4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM20879
PNG
(C-aryl glucoside, 5 | CHEMBL429911 | N-ethyl-2,6-d...)
Show SMILES CCNC(=O)c1c(O)c(Cc2ccc(OC)cc2)cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
Show InChI InChI=1S/C23H29NO9/c1-3-24-23(31)16-17(26)12(8-11-4-6-13(32-2)7-5-11)9-14(18(16)27)22-21(30)20(29)19(28)15(10-25)33-22/h4-7,9,15,19-22,25-30H,3,8,10H2,1-2H3,(H,24,31)/t15-,19-,20+,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/an/an/a>8.00E+3n/an/a7.222



Bristol-Myers Squibb Company



Assay Description
Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...

J Med Chem 51: 1145-9 (2008)


Article DOI: 10.1021/jm701272q
BindingDB Entry DOI: 10.7270/Q2PN93X4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM20878
PNG
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{2-[(4-methox...)
Show SMILES COc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H24O7/c1-25-14-8-6-12(7-9-14)10-13-4-2-3-5-15(13)26-20-19(24)18(23)17(22)16(11-21)27-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a>8.00E+3n/an/a7.222



Bristol-Myers Squibb Company



Assay Description
Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...

J Med Chem 51: 1145-9 (2008)


Article DOI: 10.1021/jm701272q
BindingDB Entry DOI: 10.7270/Q2PN93X4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM20877
PNG
(3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2...)
Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C24H26O9/c1-12-8-16(27)20(15(26)4-2-13-3-5-17-14(10-13)6-7-31-17)18(9-12)32-24-23(30)22(29)21(28)19(11-25)33-24/h3,5-10,19,21-25,27-30H,2,4,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 211n/an/a7.222



Bristol-Myers Squibb Company



Assay Description
Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...

J Med Chem 51: 1145-9 (2008)


Article DOI: 10.1021/jm701272q
BindingDB Entry DOI: 10.7270/Q2PN93X4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 330n/an/a7.222



Bristol-Myers Squibb Company



Assay Description
Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...

J Med Chem 51: 1145-9 (2008)


Article DOI: 10.1021/jm701272q
BindingDB Entry DOI: 10.7270/Q2PN93X4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20880
PNG
((2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)me...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/an/an/a 1.10n/an/a7.222



Bristol-Myers Squibb Company



Assay Description
Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...

J Med Chem 51: 1145-9 (2008)


Article DOI: 10.1021/jm701272q
BindingDB Entry DOI: 10.7270/Q2PN93X4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20879
PNG
(C-aryl glucoside, 5 | CHEMBL429911 | N-ethyl-2,6-d...)
Show SMILES CCNC(=O)c1c(O)c(Cc2ccc(OC)cc2)cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
Show InChI InChI=1S/C23H29NO9/c1-3-24-23(31)16-17(26)12(8-11-4-6-13(32-2)7-5-11)9-14(18(16)27)22-21(30)20(29)19(28)15(10-25)33-22/h4-7,9,15,19-22,25-30H,3,8,10H2,1-2H3,(H,24,31)/t15-,19-,20+,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/an/an/a 1.30E+3n/an/a7.222



Bristol-Myers Squibb Company



Assay Description
Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...

J Med Chem 51: 1145-9 (2008)


Article DOI: 10.1021/jm701272q
BindingDB Entry DOI: 10.7270/Q2PN93X4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20878
PNG
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{2-[(4-methox...)
Show SMILES COc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H24O7/c1-25-14-8-6-12(7-9-14)10-13-4-2-3-5-15(13)26-20-19(24)18(23)17(22)16(11-21)27-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 9.20n/an/a7.222



Bristol-Myers Squibb Company



Assay Description
Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...

J Med Chem 51: 1145-9 (2008)


Article DOI: 10.1021/jm701272q
BindingDB Entry DOI: 10.7270/Q2PN93X4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50163728
PNG
((Benzyl-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-etho...)
Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2O4/c1-21-26(29-28(34-21)24-10-6-3-7-11-24)16-17-33-25-14-12-23(13-15-25)19-30(20-27(31)32)18-22-8-4-2-5-9-22/h2-15H,16-20H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effective concentration against human Peroxisome proliferator activated receptor alpha

J Med Chem 48: 2248-50 (2005)


Article DOI: 10.1021/jm0496436
BindingDB Entry DOI: 10.7270/Q2SX6CRR
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/an/an/a 35.6n/an/a7.222



Bristol-Myers Squibb Company



Assay Description
Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...

J Med Chem 51: 1145-9 (2008)


Article DOI: 10.1021/jm701272q
BindingDB Entry DOI: 10.7270/Q2PN93X4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM20877
PNG
(3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2...)
Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C24H26O9/c1-12-8-16(27)20(15(26)4-2-13-3-5-17-14(10-13)6-7-31-17)18(9-12)32-24-23(30)22(29)21(28)19(11-25)33-24/h3,5-10,19,21-25,27-30H,2,4,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 6.60n/an/a7.222



Bristol-Myers Squibb Company



Assay Description
Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...

J Med Chem 51: 1145-9 (2008)


Article DOI: 10.1021/jm701272q
BindingDB Entry DOI: 10.7270/Q2PN93X4
More data for this
Ligand-Target Pair