BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 922 hits with Last Name = 'mseeh' and Initial = 'f'   
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
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM50152127
PNG
(CHEMBL3780962)
Show SMILES CN(CC(C)(C)C)c1nc(N)ncc1C
Show InChI InChI=1S/C11H20N4/c1-8-6-13-10(12)14-9(8)15(5)7-11(2,3)4/h6H,7H2,1-5H3,(H2,12,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay

Bioorg Med Chem Lett 26: 1503-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.026
BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM50152144
PNG
(CHEMBL3781661)
Show SMILES Cc1cnc(N)nc1OCC(C)(C)C
Show InChI InChI=1S/C10H17N3O/c1-7-5-12-9(11)13-8(7)14-6-10(2,3)4/h5H,6H2,1-4H3,(H2,11,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay

Bioorg Med Chem Lett 26: 1503-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.026
BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM488485
PNG
(US10954243, Example 16)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3nc2CO)[C@@H]1N |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01132
BindingDB Entry DOI: 10.7270/Q2JS9VC6
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM50152129
PNG
(CHEMBL3780596)
Show SMILES CN(CC(C)(C)CO)c1nc(N)ncc1C
Show InChI InChI=1S/C11H20N4O/c1-8-5-13-10(12)14-9(8)15(4)6-11(2,3)7-16/h5,16H,6-7H2,1-4H3,(H2,12,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay

Bioorg Med Chem Lett 26: 1503-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.026
BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM50152130
PNG
(CHEMBL3780613)
Show SMILES Cc1cnc(N)nc1NCC(C)(C)C
Show InChI InChI=1S/C10H18N4/c1-7-5-12-9(11)14-8(7)13-6-10(2,3)4/h5H,6H2,1-4H3,(H3,11,12,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay

Bioorg Med Chem Lett 26: 1503-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.026
BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM506627
PNG
(US11046649, Ex. 5)
Show SMILES Fc1cc2ncn([C@@H]3C[C@H]4[C@H](CNC(c5ccc(Cl)cc5)C(F)(F)F)[C@H]4C3)c2cc1F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.520n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50578624
PNG
(CHEMBL4856710)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(F)cc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM50152145
PNG
(CHEMBL3780032)
Show SMILES Cc1cnc(N)nc1OCC(C)(C)CO
Show InChI InChI=1S/C10H17N3O2/c1-7-4-12-9(11)13-8(7)15-6-10(2,3)5-14/h4,14H,5-6H2,1-3H3,(H2,11,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay

Bioorg Med Chem Lett 26: 1503-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.026
BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50578623
PNG
(CHEMBL4858888)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.690n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM50152125
PNG
(CHEMBL3781316)
Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MTH1 assessed as hydrolysis of dGTP to dGMP and pyrophosphate after 15 mins by malachite green-based microplate reade...

Bioorg Med Chem Lett 26: 1503-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.026
BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50560806
PNG
(CHEMBL4758092)
Show SMILES COc1cc(OCc2ccnc(Nc3cn[nH]c3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50235018
PNG
(CHEMBL4072070)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCCC(=O)NC(C)(C)CO)cc2)c1 |r|
Show InChI InChI=1S/C27H36ClNO7S/c1-27(2,15-30)29-21(31)5-4-12-35-19-9-6-16(7-10-19)13-18-14-17(8-11-20(18)28)25-23(33)22(32)24(34)26(36-25)37-3/h6-11,14,22-26,30,32-34H,4-5,12-13,15H2,1-3H3,(H,29,31)/t22-,23-,24+,25+,26-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50578677
PNG
(CHEMBL4849690)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)c1nc2cc(Cl)ccc2[nH]1)c1ccnc2ccc(F)cc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.920n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50460035
PNG
(CHEMBL4227505)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CSF1R (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM488485
PNG
(US10954243, Example 16)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3nc2CO)[C@@H]1N |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01132
BindingDB Entry DOI: 10.7270/Q2JS9VC6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50578635
PNG
(CHEMBL4875089)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccc(F)cc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50560804
PNG
(CHEMBL4763875)
Show SMILES Nc1nccc(COc2cc(F)c3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50560807
PNG
(CHEMBL4751287)
Show SMILES Nc1nccc(COc2cc(Cl)c3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)		BDBM50578623
PNG
(CHEMBL4858888)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in mouse Panc02 cells assessed as reduction in NFK level incubated for 48 hrs by RFMS analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50560786
PNG
(CHEMBL4798876)
Show SMILES Nc1nccc(COc2ccc3nc(N[C@H]4CCCC[C@H]4O)sc3c2)c1Cl |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM176693
PNG
(US9688710, 116 4-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC3(CC3)C(=O)N3CCN(C)CC3)cc2)c1 |r|
Show InChI InChI=1S/C33H45N3O6S/c1-21-7-12-24(30-28(39)27(38)29(40)31(42-30)43-3)20-25(21)19-23-10-8-22(9-11-23)5-4-6-26(37)34-33(13-14-33)32(41)36-17-15-35(2)16-18-36/h7-12,20,27-31,38-40H,4-6,13-19H2,1-3H3,(H,34,37)/t27-,28-,29+,30+,31-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50560798
PNG
(CHEMBL4795462)
Show SMILES Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2F)c1Cl |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50560801
PNG
(CHEMBL4798601)
Show SMILES Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2Cl)c1Cl |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50560791
PNG
(CHEMBL4740157)
Show SMILES COc1cc(OCc2ccnc(Nc3cnn(C)c3)n2)c(Cl)c2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM176709
PNG
(US9688710, 132 N-(1-((2-(dimethylamino)ethyl)(meth...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N(C)CCN(C)C)cc2)c1 |r|
Show InChI InChI=1S/C33H49N3O6S/c1-21-11-16-24(30-28(39)27(38)29(40)31(42-30)43-7)20-25(21)19-23-14-12-22(13-15-23)9-8-10-26(37)34-33(2,3)32(41)36(6)18-17-35(4)5/h11-16,20,27-31,38-40H,8-10,17-19H2,1-7H3,(H,34,37)/t27-,28-,29+,30+,31-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50578639
PNG
(CHEMBL4868112)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2cc(F)ccc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50560788
PNG
(CHEMBL4759047)
Show SMILES Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)		BDBM50578625
PNG
(CHEMBL4855340)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,18.21,(31.16,-49.31,;31.94,-50.76,;33.11,-51.77,;34.58,-51.26,;34.85,-49.74,;33.69,-48.73,;32.23,-49.24,;36.31,-49.23,;36.59,-47.71,;38.05,-47.2,;39.23,-48.21,;38.93,-49.73,;40.14,-50.67,;39.94,-52.19,;38.51,-52.78,;38.3,-54.3,;37.29,-51.83,;37.51,-50.31,;30.48,-51.26,;30.19,-52.77,;29.32,-50.25,;27.86,-50.76,;29.61,-48.74,;28.44,-47.73,;28.74,-46.23,;27.58,-45.22,;26.12,-45.72,;24.95,-44.72,;25.83,-47.25,;27,-48.25,)|
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in mouse Panc02 cells assessed as reduction in NFK level incubated for 48 hrs by RFMS analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50578633
PNG
(CHEMBL4872522)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccccc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM176724
PNG
(US9688710, 146 (3R,4R,5S,6R)-2-(3-(4-(3-((3-(dimet...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCCNCC(C)(C)CN(C)C)cc2)c1 |r|
Show InChI InChI=1S/C30H46N2O5S/c1-20-8-11-22(28-26(34)25(33)27(35)29(37-28)38-6)17-23(20)16-21-9-12-24(13-10-21)36-15-7-14-31-18-30(2,3)19-32(4)5/h8-13,17,25-29,31,33-35H,7,14-16,18-19H2,1-6H3/t25-,26-,27+,28+,29-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM176697
PNG
(US9688710, 120 N-(2-methyl-1-(4-methylpiperidin-1-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N3CCC(C)CC3)cc2)c1 |r|
Show InChI InChI=1S/C34H48N2O6S/c1-21-15-17-36(18-16-21)33(41)34(3,4)35-27(37)8-6-7-23-10-12-24(13-11-23)19-26-20-25(14-9-22(26)2)31-29(39)28(38)30(40)32(42-31)43-5/h9-14,20-21,28-32,38-40H,6-8,15-19H2,1-5H3,(H,35,37)/t28-,29-,30+,31+,32-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM50152125
PNG
(CHEMBL3781316)
Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay

Bioorg Med Chem Lett 26: 1503-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.026
BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50560812
PNG
(CHEMBL4748740)
Show SMILES COc1cc(OCc2ccnc(Nc3cnn(C)c3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM176709
PNG
(US9688710, 132 N-(1-((2-(dimethylamino)ethyl)(meth...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N(C)CCN(C)C)cc2)c1 |r|
Show InChI InChI=1S/C33H49N3O6S/c1-21-11-16-24(30-28(39)27(38)29(40)31(42-30)43-7)20-25(21)19-23-14-12-22(13-15-23)9-8-10-26(37)34-33(2,3)32(41)36(6)18-17-35(4)5/h11-16,20,27-31,38-40H,8-10,17-19H2,1-7H3,(H,34,37)/t27-,28-,29+,30+,31-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50578622
PNG
(CHEMBL4861332)
Show SMILES [H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM50152126
PNG
(CHEMBL3780321)
Show SMILES Cc1cnc(N)nc1CCC(C)(C)C
Show InChI InChI=1S/C11H19N3/c1-8-7-13-10(12)14-9(8)5-6-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay

Bioorg Med Chem Lett 26: 1503-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.026
BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM50235017
PNG
(LP-802034 | LX-4211 | Sotagliflozin)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM176414
PNG
(US9688710, 113 N-(2-methyl-1-(4-methylpiperazin-1-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N3CCN(C)CC3)cc2)c1 |r|
Show InChI InChI=1S/C33H47N3O6S/c1-21-9-14-24(30-28(39)27(38)29(40)31(42-30)43-5)20-25(21)19-23-12-10-22(11-13-23)7-6-8-26(37)34-33(2,3)32(41)36-17-15-35(4)16-18-36/h9-14,20,27-31,38-40H,6-8,15-19H2,1-5H3,(H,34,37)/t27-,28-,29+,30+,31-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))		BDBM176414
PNG
(US9688710, 113 N-(2-methyl-1-(4-methylpiperazin-1-...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)N3CCN(C)CC3)cc2)c1 |r|
Show InChI InChI=1S/C33H47N3O6S/c1-21-9-14-24(30-28(39)27(38)29(40)31(42-30)43-5)20-25(21)19-23-12-10-22(11-13-23)7-6-8-26(37)34-33(2,3)32(41)36-17-15-35(4)16-18-36/h9-14,20,27-31,38-40H,6-8,15-19H2,1-5H3,(H,34,37)/t27-,28-,29+,30+,31-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50588244
PNG
(CHEMBL5176625)
Show SMILES CCCNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)c(CO)nc23)c1Cl |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01132
BindingDB Entry DOI: 10.7270/Q2JS9VC6
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50560789
PNG
(CHEMBL4779878)
Show SMILES COc1cc(OCc2ccnc(N)n2)c(Cl)c2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM176724
PNG
(US9688710, 146 (3R,4R,5S,6R)-2-(3-(4-(3-((3-(dimet...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(OCCCNCC(C)(C)CN(C)C)cc2)c1 |r|
Show InChI InChI=1S/C30H46N2O5S/c1-20-8-11-22(28-26(34)25(33)27(35)29(37-28)38-6)17-23(20)16-21-9-12-24(13-10-21)36-15-7-14-31-18-30(2,3)19-32(4)5/h8-13,17,25-29,31,33-35H,7,14-16,18-19H2,1-6H3/t25-,26-,27+,28+,29-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50560790
PNG
(CHEMBL4741283)
Show SMILES Nc1nccc(COc2ccc3nc(N[C@H]4CCCC[C@@H]4O)sc3c2)c1Cl |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)		BDBM50578624
PNG
(CHEMBL4856710)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(F)cc12 |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in mouse Panc02 cells assessed as reduction in NFK level incubated for 48 hrs by RFMS analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))		BDBM384120
PNG
(1-(3-(2,3- Dichlorophenyl)-1H- pyrazolo[3,4-b]- py...)
Show SMILES CNC1(C)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H20Cl2N6/c1-18(21-2)6-8-26(9-7-18)13-10-22-16-15(24-25-17(16)23-13)11-4-3-5-12(19)14(11)20/h3-5,10,21H,6-9H2,1-2H3,(H,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Recombinant full-length wild-type and E76K mutant human PTPN11 proteins were cloned, expressed (E. coli system), and isolated via a two-step purifica...

US Patent US10851110 (2020)


BindingDB Entry DOI: 10.7270/Q2833W4T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))		BDBM384120
PNG
(1-(3-(2,3- Dichlorophenyl)-1H- pyrazolo[3,4-b]- py...)
Show SMILES CNC1(C)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H20Cl2N6/c1-18(21-2)6-8-26(9-7-18)13-10-22-16-15(24-25-17(16)23-13)11-4-3-5-12(19)14(11)20/h3-5,10,21H,6-9H2,1-2H3,(H,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Incyte Corporation



Assay Description
Recombinant full-length wild-type and E76K mutant human PTPN11 proteins were cloned, expressed (E. coli system), and isolated via a two-step purifica...

Bioorg Med Chem 15: 6649-58 (2007)


BindingDB Entry DOI: 10.7270/Q2TH8Q0Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [E76K]


(Homo sapiens (Human))		BDBM384120
PNG
(1-(3-(2,3- Dichlorophenyl)-1H- pyrazolo[3,4-b]- py...)
Show SMILES CNC1(C)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H20Cl2N6/c1-18(21-2)6-8-26(9-7-18)13-10-22-16-15(24-25-17(16)23-13)11-4-3-5-12(19)14(11)20/h3-5,10,21H,6-9H2,1-2H3,(H,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methyl...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2TB1B4T
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM176714
PNG
(US9688710, 136 N-(1-((2-(dimethylamino)ethyl)amino...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCC(=O)NC(C)(C)C(=O)NCCN(C)C)cc2)c1 |r|
Show InChI InChI=1S/C32H47N3O6S/c1-20-10-15-23(29-27(38)26(37)28(39)30(41-29)42-6)19-24(20)18-22-13-11-21(12-14-22)8-7-9-25(36)34-32(2,3)31(40)33-16-17-35(4)5/h10-15,19,26-30,37-39H,7-9,16-18H2,1-6H3,(H,33,40)(H,34,36)/t26-,27-,28+,29+,30-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM176544
PNG
(US9688710, 104 2,2-dimethyl-3-((4-(4-(2-methyl-5-(...)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C)c(Cc2ccc(CCCCNCC(C)(C)C(N)=O)cc2)c1 |r|
Show InChI InChI=1S/C29H42N2O5S/c1-18-8-13-21(26-24(33)23(32)25(34)27(36-26)37-4)16-22(18)15-20-11-9-19(10-12-20)7-5-6-14-31-17-29(2,3)28(30)35/h8-13,16,23-27,31-34H,5-7,14-15,17H2,1-4H3,(H2,30,35)/t23-,24-,25+,26+,27-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM50235018
PNG
(CHEMBL4072070)
Show SMILES CS[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCCC(=O)NC(C)(C)CO)cc2)c1 |r|
Show InChI InChI=1S/C27H36ClNO7S/c1-27(2,15-30)29-21(31)5-4-12-35-19-9-6-16(7-10-19)13-18-14-17(8-11-20(18)28)25-23(33)22(32)24(34)26(36-25)37-3/h6-11,14,22-26,30,32-34H,4-5,12-13,15H2,1-3H3,(H,29,31)/t22-,23-,24+,25+,26-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation cou...

J Med Chem 60: 710-721 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01541
BindingDB Entry DOI: 10.7270/Q2C24ZQ7
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 922 total )  |  Next  |  Last  >>
Jump to: