Found 250 hits with Last Name = 'joharapurkar' and Initial = 'a' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50178975
(4,6-dichloro-5-(4-hydroxy-3-isopropylphenoxy)-1H-i...)Show SMILES CC(C)c1cc(Oc2c(Cl)cc3[nH]c(cc3c2Cl)C(O)=O)ccc1O Show InChI InChI=1S/C18H15Cl2NO4/c1-8(2)10-5-9(3-4-15(10)22)25-17-12(19)7-13-11(16(17)20)6-14(21-13)18(23)24/h3-8,21-22H,1-2H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Binding affinity to TRbeta1 |
J Med Chem 55: 5649-75 (2012)
Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18869
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Binding affinity to TRbeta1 |
J Med Chem 55: 5649-75 (2012)
Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM18869
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 7.18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Binding affinity to TRalpha1 |
J Med Chem 55: 5649-75 (2012)
Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells |
J Med Chem 50: 5951-66 (2007)
Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50226179
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10| Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells |
J Med Chem 50: 5951-66 (2007)
Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50226179
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10| Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells |
J Med Chem 50: 5951-66 (2007)
Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50226179
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10| Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 475 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells |
J Med Chem 50: 5951-66 (2007)
Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50401076
(CHEMBL457748)Show SMILES CC(C)c1cc(Cc2c(C)cc(OC[P@@]3(=O)OCC[C@H](O3)c3cccc(Cl)c3)cc2C)ccc1O |r| Show InChI InChI=1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Binding affinity to TRbeta1 |
J Med Chem 55: 5649-75 (2012)
Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN552122 from human recombinant CB2 receptor expressed in CHOK1 cells |
J Med Chem 50: 5951-66 (2007)
Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50401076
(CHEMBL457748)Show SMILES CC(C)c1cc(Cc2c(C)cc(OC[P@@]3(=O)OCC[C@H](O3)c3cccc(Cl)c3)cc2C)ccc1O |r| Show InChI InChI=1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Binding affinity to TRalpha1 |
J Med Chem 55: 5649-75 (2012)
Article DOI: 10.1021/jm2004706
BindingDB Entry DOI: 10.7270/Q2DZ09FJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50226179
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10| Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN552122 from human recombinant CB2 receptor expressed in CHOK1 cells |
J Med Chem 50: 5951-66 (2007)
Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50226179
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10| Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN552122 from human recombinant CB2 receptor expressed in CHOK1 cells |
J Med Chem 50: 5951-66 (2007)
Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50226179
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10| Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.64E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN552122 from human recombinant CB2 receptor expressed in CHOK1 cells |
J Med Chem 50: 5951-66 (2007)
Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK |
More data for this
Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50385806
(CHEMBL2041193)Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1 Show InChI InChI=1S/C32H30N6O4/c1-21-4-3-14-34-27(21)19-36-16-12-32(13-17-36)30(41)37(31(42)38(32)28-11-15-33-20-35-28)25-8-5-23(6-9-25)26-10-7-24(29(39)40)18-22(26)2/h3-11,14-15,18,20H,12-13,16-17,19H2,1-2H3,(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Prolyl hydroxylase EGLN2
(Homo sapiens (Human)) | BDBM50385806
(CHEMBL2041193)Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1 Show InChI InChI=1S/C32H30N6O4/c1-21-4-3-14-34-27(21)19-36-16-12-32(13-17-36)30(41)37(31(42)38(32)28-11-15-33-20-35-28)25-8-5-23(6-9-25)26-10-7-24(29(39)40)18-22(26)2/h3-11,14-15,18,20H,12-13,16-17,19H2,1-2H3,(H,39,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD1 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50316499
(CHEMBL4167582)Show SMILES OC(=O)CCNC(=O)c1cc(O)c(cn1)C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H21N3O5/c27-19-13-18(23(31)24-12-11-20(28)29)25-14-17(19)22(30)26-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,21H,11-12H2,(H,24,31)(H,25,27)(H,26,30)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50316852
(CHEMBL4171446)Show SMILES Oc1nc(ncc1NC(=O)Cc1ccc(cc1)-c1ccccc1)-n1cccn1 Show InChI InChI=1S/C21H17N5O2/c27-19(13-15-7-9-17(10-8-15)16-5-2-1-3-6-16)24-18-14-22-21(25-20(18)28)26-12-4-11-23-26/h1-12,14H,13H2,(H,24,27)(H,22,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50316816
(CHEMBL4161223)Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3OC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F)C#N Show InChI InChI=1S/C22H14F3N3O6/c23-22(24,25)12-3-1-11(2-4-12)15-9-28-18-13(5-10(7-26)6-14(18)34-15)19(31)17(21(28)33)20(32)27-8-16(29)30/h1-6,15,31H,8-9H2,(H,27,32)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50316816
(CHEMBL4161223)Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3OC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F)C#N Show InChI InChI=1S/C22H14F3N3O6/c23-22(24,25)12-3-1-11(2-4-12)15-9-28-18-13(5-10(7-26)6-14(18)34-15)19(31)17(21(28)33)20(32)27-8-16(29)30/h1-6,15,31H,8-9H2,(H,27,32)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Prolyl hydroxylase EGLN3
(Homo sapiens (Human)) | BDBM50317545
(CHEMBL4173371)Show SMILES COc1ccc(nc1OC)-n1c(=O)[nH]c2cc(sc2c1=O)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C21H17ClN4O5S/c1-30-14-7-8-16(25-19(14)31-2)26-20(28)17-13(24-21(26)29)9-15(32-17)18(27)23-10-11-3-5-12(22)6-4-11/h3-9H,10H2,1-2H3,(H,23,27)(H,24,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD3 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50321025
(CHEMBL4170335)Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3NC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F)C#N Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)12-3-1-11(2-4-12)15-9-29-18-13(5-10(7-26)6-14(18)28-15)19(32)17(21(29)34)20(33)27-8-16(30)31/h1-6,15,28,32H,8-9H2,(H,27,33)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Prolyl hydroxylase EGLN3
(Homo sapiens (Human)) | BDBM50446903
(CHEMBL3115293)Show SMILES COc1ccc(nc1OC)-n1c(=S)[nH]c2cc(sc2c1=O)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C21H17ClN4O4S2/c1-29-14-7-8-16(25-19(14)30-2)26-20(28)17-13(24-21(26)31)9-15(32-17)18(27)23-10-11-3-5-12(22)6-4-11/h3-9H,10H2,1-2H3,(H,23,27)(H,24,31) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD3 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50316844
(CHEMBL4162417)Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3SC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F)C#N Show InChI InChI=1S/C22H14F3N3O5S/c23-22(24,25)12-3-1-11(2-4-12)15-9-28-18-13(5-10(7-26)6-14(18)34-15)19(31)17(21(28)33)20(32)27-8-16(29)30/h1-6,15,31H,8-9H2,(H,27,32)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Prolyl hydroxylase EGLN3
(Homo sapiens (Human)) | BDBM50385806
(CHEMBL2041193)Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1 Show InChI InChI=1S/C32H30N6O4/c1-21-4-3-14-34-27(21)19-36-16-12-32(13-17-36)30(41)37(31(42)38(32)28-11-15-33-20-35-28)25-8-5-23(6-9-25)26-10-7-24(29(39)40)18-22(26)2/h3-11,14-15,18,20H,12-13,16-17,19H2,1-2H3,(H,39,40) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD3 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50317465
(CHEMBL4165865)Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3OCCn(c23)c1=O)C#N Show InChI InChI=1S/C15H11N3O6/c16-5-7-3-8-12-9(4-7)24-2-1-18(12)15(23)11(13(8)21)14(22)17-6-10(19)20/h3-4,21H,1-2,6H2,(H,17,22)(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50318459
(CHEMBL4159227)Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3CC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F)C#N Show InChI InChI=1S/C23H16F3N3O5/c24-23(25,26)15-3-1-12(2-4-15)14-7-13-5-11(8-27)6-16-19(13)29(10-14)22(34)18(20(16)32)21(33)28-9-17(30)31/h1-6,14,32H,7,9-10H2,(H,28,33)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50420657
(CHEMBL2086613)Show SMILES O=C(CCCNC(=O)c1ccc(cc1)C#N)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H18N4O2/c18-11-13-5-7-14(8-6-13)17(23)20-9-1-4-16(22)21-10-2-3-15(21)12-19/h5-8,15H,1-4,9-10H2,(H,20,23)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 expressed in baculovirus expression system using Gly-Pro-AMC substrate incubated or 30 mins by fluorescence based assay |
Bioorg Med Chem Lett 22: 3516-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.078
BindingDB Entry DOI: 10.7270/Q2QZ2C77 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM124215
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...)Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(CC(Cc3ccc4cc(Br)c(cc4n3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br Show InChI InChI=1S/C37H26Br2F4N4O7P2/c38-29-16-23-11-10-21(14-25(23)15-27(29)36(40,41)55(49,50)51)19-35(34(48)22-6-2-1-3-7-22,47-33-9-5-4-8-31(33)45-46-47)20-26-13-12-24-17-30(39)28(18-32(24)44-26)37(42,43)56(52,53)54/h1-18H,19-20H2,(H2,49,50,51)(H2,52,53,54) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
| Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa... |
ChemMedChem 6: 1011-6 (2011)
Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11695
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 expressed in baculovirus expression system using Gly-Pro-AMC substrate incubated or 30 mins by fluorescence based assay |
Bioorg Med Chem Lett 22: 3516-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.078
BindingDB Entry DOI: 10.7270/Q2QZ2C77 |
More data for this
Ligand-Target Pair | |
Prolyl hydroxylase EGLN2
(Homo sapiens (Human)) | BDBM50317547
(CHEMBL4163812)Show SMILES OC(=O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O Show InChI InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,26H,1-11H2,(H,20,25)(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of PHD1 (unknown origin) |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50420653
(CHEMBL2086614)Show SMILES FC(F)(F)c1ccc(cc1)C(=O)NCCCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H18F3N3O2/c18-17(19,20)13-7-5-12(6-8-13)16(25)22-9-1-4-15(24)23-10-2-3-14(23)11-21/h5-8,14H,1-4,9-10H2,(H,22,25)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 expressed in baculovirus expression system using Gly-Pro-AMC substrate incubated or 30 mins by fluorescence based assay |
Bioorg Med Chem Lett 22: 3516-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.078
BindingDB Entry DOI: 10.7270/Q2QZ2C77 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM124216
(({7-[2-({7-[(aminosulfinyl)difluoromethyl]-6-bromo...)Show SMILES NS(=O)C(F)(F)c1cc2cc(CC(Cc3ccc4cc(Br)c(cc4c3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br Show InChI InChI=1S/C38H27Br2F4N4O5PS/c39-31-18-25-12-10-22(14-27(25)16-29(31)37(41,42)54(50,51)52)20-36(35(49)24-6-2-1-3-7-24,48-34-9-5-4-8-33(34)46-47-48)21-23-11-13-26-19-32(40)30(17-28(26)15-23)38(43,44)55(45)53/h1-19H,20-21,45H2,(H2,50,51,52) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
| Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa... |
ChemMedChem 6: 1011-6 (2011)
Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM124221
(({2-[2-({7-[(aminosulfinyl)difluoromethyl]-6-bromo...)Show SMILES NS(=O)C(F)(F)c1cc2nc(CC(Cc3ccc4cc(Br)c(cc4n3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br Show InChI InChI=1S/C36H25Br2F4N6O5PS/c37-27-14-21-10-12-23(44-30(21)16-25(27)35(39,40)54(50,51)52)18-34(33(49)20-6-2-1-3-7-20,48-32-9-5-4-8-29(32)46-47-48)19-24-13-11-22-15-28(38)26(17-31(22)45-24)36(41,42)55(43)53/h1-17H,18-19,43H2,(H2,50,51,52) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
| Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa... |
ChemMedChem 6: 1011-6 (2011)
Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ |
More data for this
Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM350280
(2-(4-Hydroxy-2-oxo-1-(3'- (trifluoromethoxy)-[1,1'...)Show SMILES OC(=O)CNC(=O)c1c(O)c2CSCc2n(-c2ccc(cc2)-c2cccc(OC(F)(F)F)c2)c1=O Show InChI InChI=1S/C23H17F3N2O6S/c24-23(25,26)34-15-3-1-2-13(8-15)12-4-6-14(7-5-12)28-17-11-35-10-16(17)20(31)19(22(28)33)21(32)27-9-18(29)30/h1-8,31H,9-11H2,(H,27,32)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50421200
(CHEMBL2087289)Show SMILES OC(=O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccc(F)cc3F)cc2)Cc2cc(F)cc(F)c2)c(Br)c1 Show InChI InChI=1S/C28H19Br2F4NO3/c29-23-9-17(11-27(36)37)10-24(30)28(23)35(15-18-7-20(32)12-21(33)8-18)14-16-1-4-22(5-2-16)38-26-6-3-19(31)13-25(26)34/h1-10,12-13H,11,14-15H2,(H,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in baculovirus infected Sf9 cells after overnight incubation by scinti... |
Bioorg Med Chem Lett 22: 5857-62 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.078
BindingDB Entry DOI: 10.7270/Q2H70H37 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50421197
(CHEMBL2087286)Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(F)c(OCC(O)=O)c2)cc1)Cc1cc(F)cc(F)c1 Show InChI InChI=1S/C30H27F3N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-12-22(31)14-23(32)13-21)16-20-6-8-24(9-7-20)41-25-10-11-26(33)29(15-25)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in baculovirus infected Sf9 cells after overnight incubation by scinti... |
Bioorg Med Chem Lett 22: 5857-62 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.078
BindingDB Entry DOI: 10.7270/Q2H70H37 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50362181
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...)Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(CC(Cc3ccc4cc(Br)c(cc4c3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br Show InChI InChI=1S/C38H27Br2F4N3O7P2/c39-31-18-25-12-10-22(14-27(25)16-29(31)37(41,42)55(49,50)51)20-36(35(48)24-6-2-1-3-7-24,47-34-9-5-4-8-33(34)45-46-47)21-23-11-13-26-19-32(40)30(17-28(26)15-23)38(43,44)56(52,53)54/h1-19H,20-21H2,(H2,49,50,51)(H2,52,53,54) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
M.S. University of Baroda
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B assessed as para-nitrophenyl phosphate catalyzed hydrolysis of para-nitrophenol by p-NPP assay |
Bioorg Med Chem Lett 22: 1111-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.122
BindingDB Entry DOI: 10.7270/Q2ZS2X05 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50362181
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...)Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(CC(Cc3ccc4cc(Br)c(cc4c3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br Show InChI InChI=1S/C38H27Br2F4N3O7P2/c39-31-18-25-12-10-22(14-27(25)16-29(31)37(41,42)55(49,50)51)20-36(35(48)24-6-2-1-3-7-24,47-34-9-5-4-8-33(34)45-46-47)21-23-11-13-26-19-32(40)30(17-28(26)15-23)38(43,44)56(52,53)54/h1-19H,20-21H2,(H2,49,50,51)(H2,52,53,54) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
| Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa... |
ChemMedChem 6: 1011-6 (2011)
Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM124220
(({2-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...)Show SMILES OP(O)(=O)C(F)(F)c1cc2nc(CC(Cc3ccc4cc(Br)c(cc4n3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br Show InChI InChI=1S/C36H25Br2F4N5O7P2/c37-27-14-21-10-12-23(43-30(21)16-25(27)35(39,40)55(49,50)51)18-34(33(48)20-6-2-1-3-7-20,47-32-9-5-4-8-29(32)45-46-47)19-24-13-11-22-15-28(38)26(17-31(22)44-24)36(41,42)56(52,53)54/h1-17H,18-19H2,(H2,49,50,51)(H2,52,53,54) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
| Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa... |
ChemMedChem 6: 1011-6 (2011)
Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ |
More data for this
Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50318681
(CHEMBL4162309)Show SMILES OC(=O)CNC(=O)c1c(O)c2COCCc2n(Cc2nc3ccccc3s2)c1=O Show InChI InChI=1S/C19H17N3O6S/c23-15(24)7-20-18(26)16-17(25)10-9-28-6-5-12(10)22(19(16)27)8-14-21-11-3-1-2-4-13(11)29-14/h1-4,25H,5-9H2,(H,20,26)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Prolyl hydroxylase EGLN3
(Homo sapiens (Human)) | BDBM50317547
(CHEMBL4163812)Show SMILES OC(=O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O Show InChI InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,26H,1-11H2,(H,20,25)(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of PHD3 (unknown origin) |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50317468
(CHEMBL4169558)Show SMILES OC(=O)CNC(=O)c1c(O)c2COCc2n(-c2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C17H13F3N2O6/c18-17(19,20)8-1-3-9(4-2-8)22-11-7-28-6-10(11)14(25)13(16(22)27)15(26)21-5-12(23)24/h1-4,25H,5-7H2,(H,21,26)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM124217
(({7-[2-({7-[(aminosulfinyl)difluoromethyl]-6-bromo...)Show SMILES NS(=O)C(F)(F)c1cc2nc(CC(Cc3ccc4cc(Br)c(cc4c3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br Show InChI InChI=1S/C37H26Br2F4N5O5PS/c38-29-16-23-11-10-21(14-25(23)15-27(29)36(40,41)54(50,51)52)19-35(34(49)22-6-2-1-3-7-22,48-33-9-5-4-8-31(33)46-47-48)20-26-13-12-24-17-30(39)28(18-32(24)45-26)37(42,43)55(44)53/h1-18H,19-20,44H2,(H2,50,51,52) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
| Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa... |
ChemMedChem 6: 1011-6 (2011)
Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11113
(6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...)Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 expressed in baculovirus expression system using Gly-Pro-AMC substrate incubated or 30 mins by fluorescence based assay |
Bioorg Med Chem Lett 22: 3516-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.078
BindingDB Entry DOI: 10.7270/Q2QZ2C77 |
More data for this
Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50318913
(CHEMBL4177137)Show SMILES CN1Cc2c(CC1=O)c(O)c(C(=O)NCC(O)=O)c(=O)n2Cc1ccc(Cl)cc1 Show InChI InChI=1S/C19H18ClN3O6/c1-22-9-13-12(6-14(22)24)17(27)16(18(28)21-7-15(25)26)19(29)23(13)8-10-2-4-11(20)5-3-10/h2-5,27H,6-9H2,1H3,(H,21,28)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50004098
(CHEMBL3236121)Show SMILES NC[C@H]1CN(CCc2ccc3OCOc3c2)C(=O)C[C@@H]1c1cc(F)ccc1F |r| Show InChI InChI=1S/C21H22F2N2O3/c22-15-2-3-18(23)17(8-15)16-9-21(26)25(11-14(16)10-24)6-5-13-1-4-19-20(7-13)28-12-27-19/h1-4,7-8,14,16H,5-6,9-12,24H2/t14-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
M.S. University of Baroda
Curated by ChEMBL
| Assay Description
Inhibition of human DPP-4 expressed in baculovirus expression system using H-Gly-Pro-AMC as substrate after 30 mins by fluorometric analysis |
Bioorg Med Chem Lett 24: 1918-22 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.009
BindingDB Entry DOI: 10.7270/Q2G73G7F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50362195
(CHEMBL1938828)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc2cc(F)c(cc2c1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C29H23F3N3O8PS2/c30-26-13-21-6-3-19(11-22(21)12-25(26)29(31,32)44(38,39)40)15-35(14-18-1-4-20(5-2-18)27-17-45-34-33-27)46(41,42)24-9-7-23(8-10-24)43-16-28(36)37/h1-13,17H,14-16H2,(H,36,37)(H2,38,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
M.S. University of Baroda
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B assessed as para-nitrophenyl phosphate catalyzed hydrolysis of para-nitrophenol by p-NPP assay |
Bioorg Med Chem Lett 22: 1111-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.122
BindingDB Entry DOI: 10.7270/Q2ZS2X05 |
More data for this
Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50321014
(CHEMBL4163550)Show SMILES COc1ccc(cc1)C(NC(=O)c1cnc(nc1O)-c1cccnn1)c1ccc(cc1)P(O)=O Show InChI InChI=1S/C23H20N5O5P/c1-33-16-8-4-14(5-9-16)20(15-6-10-17(11-7-15)34(31)32)26-22(29)18-13-24-21(27-23(18)30)19-3-2-12-25-28-19/h2-13,20,34H,1H3,(H,26,29)(H,31,32)(H,24,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cadila Healthcare Limited
Curated by ChEMBL
| Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ... |
J Med Chem 61: 6964-6982 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50420651
(CHEMBL2086611)Show SMILES O=C(CCNC(=O)c1ccc(cc1)C#N)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C16H16N4O2/c17-10-12-3-5-13(6-4-12)16(22)19-8-7-15(21)20-9-1-2-14(20)11-18/h3-6,14H,1-2,7-9H2,(H,19,22)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 expressed in baculovirus expression system using Gly-Pro-AMC substrate incubated or 30 mins by fluorescence based assay |
Bioorg Med Chem Lett 22: 3516-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.078
BindingDB Entry DOI: 10.7270/Q2QZ2C77 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50362196
(CHEMBL1938829)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc2cc(F)c(cc2n1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C28H22F3N4O8PS2/c29-24-11-19-5-6-20(32-25(19)12-23(24)28(30,31)44(38,39)40)14-35(13-17-1-3-18(4-2-17)26-16-45-34-33-26)46(41,42)22-9-7-21(8-10-22)43-15-27(36)37/h1-12,16H,13-15H2,(H,36,37)(H2,38,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
M.S. University of Baroda
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B assessed as para-nitrophenyl phosphate catalyzed hydrolysis of para-nitrophenol by p-NPP assay |
Bioorg Med Chem Lett 22: 1111-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.122
BindingDB Entry DOI: 10.7270/Q2ZS2X05 |
More data for this
Ligand-Target Pair | |
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