Found 128 hits with Last Name = 'bhat' and Initial = 'sa' 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 |
|---|
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50550657
(CHEMBL4792737)Show SMILES COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat neutrophil 5- Lipoxygenase (5-LO) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50571459
(CHEMBL4872830)Show SMILES O=c1cc(cc([nH]1)N1CCCCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat neutrophil 5- Lipoxygenase (5-LO), |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50059640
(CHEMBL2140173)Show SMILES C[C@H]1CN(CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1 Show InChI InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ability to inhibit U-46,619-induced contraction of isolated strips of rabbit thoracic aorta, which is the measure of thromboxane receptor antagonism |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50039197
(1-Phenyl-cyclohexanecarboxylic acid 2-morpholin-4-...)Show InChI InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Phosphodiesterase 2 from pig coronary artery |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50550657
(CHEMBL4792737)Show SMILES COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat neutrophil 5- Lipoxygenase (5-LO), (at a concentration of 0.2 nM ), |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50059640
(CHEMBL2140173)Show SMILES C[C@H]1CN(CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1 Show InChI InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| | 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat neutrophil 5- Lipoxygenase (5-LO), |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50571459
(CHEMBL4872830)Show SMILES O=c1cc(cc([nH]1)N1CCCCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat neutrophil 5- Lipoxygenase (5-LO) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50234890
(CHEMBL4077018)Show SMILES CSc1nc(c(-c2ccnc(Nc3ccc(NC(=O)c4cccc(NC(=O)C=C)c4)cc3)c2)n1C)-c1ccc(F)cc1 Show InChI InChI=1S/C32H27FN6O2S/c1-4-28(40)36-26-7-5-6-22(18-26)31(41)37-25-14-12-24(13-15-25)35-27-19-21(16-17-34-27)30-29(38-32(42-3)39(30)2)20-8-10-23(33)11-9-20/h4-19H,1H2,2-3H3,(H,34,35)(H,36,40)(H,37,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity against beta-2 adrenergic receptor in isolated guinea pig trachea |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50405622
(CHEMBL5271950)Show InChI InChI=1S/C14H21NO2/c1-11-5-7-12(8-6-11)17-10-14(16)13-4-2-3-9-15-13/h5-8,13-16H,2-4,9-10H2,1H3/t13-,14+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver |
Citation and Details
|
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50405611
(CHEMBL5273419)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-[#6]P([#8])(=O)[#6]P([#8])([#8])=O |w:13.13| Show InChI InChI=1S/C18H34O5P2/c1-16(2)9-7-11-18(4)13-8-12-17(3)10-5-6-14-24(19,20)15-25(21,22)23/h9-10,13H,5-8,11-12,14-15H2,1-4H3,(H,19,20)(H2,21,22,23)/b17-10?,18-13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Phosphodiesterase 2 from pig coronary artery |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50405622
(CHEMBL5271950)Show InChI InChI=1S/C14H21NO2/c1-11-5-7-12(8-6-11)17-10-14(16)13-4-2-3-9-15-13/h5-8,13-16H,2-4,9-10H2,1H3/t13-,14+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat neutrophil 5- Lipoxygenase (5-LO) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM20926
(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Phosphodiesterase 2 from pig coronary artery |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Huntingtin
(Homo sapiens (Human)) | BDBM50595435
(CHEMBL5179682)Show SMILES CCN1CCC(CC1)c1cc2c(F)cc(cc2nn1)-c1cc(C)c2nc(C)cn2n1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50420459
(CHEMBL2086528)Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,20:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26| Show InChI InChI=1S/C24H31N3O4S/c1-2-22(28)25-20-3-5-21(6-4-20)32(30,31)27-9-7-26(8-10-27)23(29)24-14-17-11-18(15-24)13-19(12-17)16-24/h2-6,17-19H,1,7-16H2,(H,25,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ability to inhibit U-46,619-induced contraction of isolated strips of rabbit thoracic aorta, which is the measure of thromboxane receptor antagonism |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253320
(2-(4-(4-Fluorophenyl)-5-(2-(3-methylbutan-2-ylamin...)Show SMILES CC(C)C(C)Nc1cc(ccn1)-c1nc(SCCO)[nH]c1-c1ccc(F)cc1 Show InChI InChI=1S/C21H25FN4OS/c1-13(2)14(3)24-18-12-16(8-9-23-18)20-19(15-4-6-17(22)7-5-15)25-21(26-20)28-11-10-27/h4-9,12-14,27H,10-11H2,1-3H3,(H,23,24)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver |
Citation and Details
|
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50405608
(CHEMBL5274332)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]=[#6]\P([#8])(=O)C(F)(F)P([#8])([#8])=O Show InChI InChI=1S/C17H28F2O5P2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-25(20,21)17(18,19)26(22,23)24/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,20,21)(H2,22,23,24)/b13-7+,15-10+,16-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50234888
(CHEMBL4074524)Show SMILES CSc1nc(c([nH]1)-c1ccnc(Nc2ccc(N)cc2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H18FN5S/c1-28-21-26-19(13-2-4-15(22)5-3-13)20(27-21)14-10-11-24-18(12-14)25-17-8-6-16(23)7-9-17/h2-12H,23H2,1H3,(H,24,25)(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat neutrophil 5- Lipoxygenase (5-LO) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50405610
(CHEMBL5283014)Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6]=[#6]P([#8])(=O)C(F)(F)P([#8])([#8])=O |w:14.13| Show InChI InChI=1S/C17H30F2O5P2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-25(20,21)17(18,19)26(22,23)24/h7-8,10,13,16H,5-6,9,11-12H2,1-4H3,(H,20,21)(H2,22,23,24)/b13-7?,15-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Phosphodiesterase 2 from pig coronary artery |
Citation and Details
|
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50405607
(CHEMBL5267784)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]=[#6]P([#8])(=O)[#6]P([#8])([#8])=O |w:14.13,11.11| Show InChI InChI=1S/C17H30O5P2/c1-15(2)8-5-9-16(3)10-6-11-17(4)12-7-13-23(18,19)14-24(20,21)22/h7-8,10,12-13H,5-6,9,11,14H2,1-4H3,(H,18,19)(H2,20,21,22)/b13-7?,16-10+,17-12? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50405609
(CHEMBL5288429)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]P([#8])(=O)[#8]P([#8])([#8])=O Show InChI InChI=1S/C16H30O6P2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-23(17,18)22-24(19,20)21/h8,10,12H,5-7,9,11,13H2,1-4H3,(H,17,18)(H2,19,20,21)/b15-10+,16-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Phosphodiesterase 2 from pig coronary artery |
Citation and Details
|
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50405605
(CHEMBL5273125)Show SMILES CCCCCCCCCCP(O)(=O)O[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C21H41N2O6P/c1-2-3-4-5-6-7-8-11-17-30(27,28)29-19(14-9-10-15-22)20(24)23-16-12-13-18(23)21(25)26/h18-19H,2-17,22H2,1H3,(H,25,26)(H,27,28)/t18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50103104
(CHEMBL3394106)Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H21FN4O3S/c1-14(29)26-19-12-17(8-10-25-19)22-21(16-4-6-18(24)7-5-16)27-23(32-11-9-20(30)31)28(22)13-15-2-3-15/h4-12,15H,2-3,13H2,1H3,(H,30,31)(H,25,26,29)/b11-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50609095
(CHEMBL5280306)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(O)=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kynurenine 3-monooxygenase
(Homo sapiens (Human)) | BDBM50072083
(CHEMBL3407929)Show SMILES OC(=O)[C@H]1C[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)/t6-,7-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonistic activity of guinea pig Histamine H2 receptor expressed as pA2 at pH 7.0 |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM20926
(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Phosphodiesterase 2 from pig coronary artery |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50006932
(CHEMBL3237245)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Phosphodiesterase 2 from pig coronary artery |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50234888
(CHEMBL4074524)Show SMILES CSc1nc(c([nH]1)-c1ccnc(Nc2ccc(N)cc2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H18FN5S/c1-28-21-26-19(13-2-4-15(22)5-3-13)20(27-21)14-10-11-24-18(12-14)25-17-8-6-16(23)7-9-17/h2-12H,23H2,1H3,(H,24,25)(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50405626
(CHEMBL5269500)Show InChI InChI=1S/C17H21NO2/c19-16(15-9-3-4-11-18-15)12-20-17-10-5-7-13-6-1-2-8-14(13)17/h1-2,5-8,10,15-16,18-19H,3-4,9,11-12H2/t15-,16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Plasmodium berghei |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50405623
(CHEMBL5287474)Show InChI InChI=1S/C14H21NO2/c1-11-5-7-12(8-6-11)17-10-14(16)13-4-2-3-9-15-13/h5-8,13-16H,2-4,9-10H2,1H3/t13-,14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Neisseria gonorrhoeae |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50405624
(CHEMBL5284967)Show InChI InChI=1S/C16H25NO2/c18-16(15-10-4-5-11-17-15)13-19-12-6-9-14-7-2-1-3-8-14/h1-3,7-8,15-18H,4-6,9-13H2/t15-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50405625
(CHEMBL5274433)Show InChI InChI=1S/C17H21NO2/c19-16(15-9-3-4-11-18-15)12-20-17-10-5-7-13-6-1-2-8-14(13)17/h1-2,5-8,10,15-16,18-19H,3-4,9,11-12H2/t15-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Plasmodium berghei |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50103104
(CHEMBL3394106)Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H21FN4O3S/c1-14(29)26-19-12-17(8-10-25-19)22-21(16-4-6-18(24)7-5-16)27-23(32-11-9-20(30)31)28(22)13-15-2-3-15/h4-12,15H,2-3,13H2,1H3,(H,30,31)(H,25,26,29)/b11-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat neutrophil 5- Lipoxygenase (5-LO) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50405623
(CHEMBL5287474)Show InChI InChI=1S/C14H21NO2/c1-11-5-7-12(8-6-11)17-10-14(16)13-4-2-3-9-15-13/h5-8,13-16H,2-4,9-10H2,1H3/t13-,14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Plasmodium berghei |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50234890
(CHEMBL4077018)Show SMILES CSc1nc(c(-c2ccnc(Nc3ccc(NC(=O)c4cccc(NC(=O)C=C)c4)cc3)c2)n1C)-c1ccc(F)cc1 Show InChI InChI=1S/C32H27FN6O2S/c1-4-28(40)36-26-7-5-6-22(18-26)31(41)37-25-14-12-24(13-15-25)35-27-19-21(16-17-34-27)30-29(38-32(42-3)39(30)2)20-8-10-23(33)11-9-20/h4-19H,1H2,2-3H3,(H,34,35)(H,36,40)(H,37,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kynurenine 3-monooxygenase
(Homo sapiens (Human)) | BDBM50061916
(3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-...)Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Phosphodiesterase 2 from pig coronary artery |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50405618
(CHEMBL5286810)Show InChI InChI=1S/C15H25NO2/c1-13(2)16-11-15(17)12-18-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Phosphodiesterase 2 from pig coronary artery |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Huntingtin
(Homo sapiens (Human)) | BDBM50595433
(CHEMBL5195936)Show SMILES CC1(C)CC(CC(C)(C)N1)Oc1ccc(nn1)-c1ccc(cc1O)-c1ccnc(O)c1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proprotein convertase subtilisin/kexin type 9
(Homo sapiens (Human)) | BDBM50609098
(CHEMBL5278470)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(N)CCC(CC1)c1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r,wU:2.2,87.91,8.8,29.29,45.45,wD:4.75,95.99,79.83,20.20,37.37,(3.98,-5,;3.98,-3.46,;5.31,-2.7,;6.64,-3.46,;5.31,-1.16,;3.98,-.39,;2.64,-1.16,;2.64,-2.7,;1.31,-.39,;1.31,1.15,;2.64,1.92,;2.64,3.46,;3.98,4.23,;3.98,5.77,;5.31,6.54,;6.64,5.77,;5.31,8.08,;-.02,-1.16,;-1.36,-.39,;-1.36,1.15,;-2.69,-1.16,;-2.69,-2.7,;-1.36,-3.46,;-1.36,-5.01,;-.02,-5.77,;-.02,-7.32,;-4.03,-.39,;-5.36,-1.16,;-5.36,-2.7,;-6.69,-.39,;-6.69,1.15,;-5.36,1.92,;-5.36,3.46,;-4.03,1.15,;-8.03,-1.16,;-9.31,-.39,;-9.31,1.15,;-10.64,-1.16,;-10.64,-2.7,;-9.31,-3.46,;-8.03,-2.7,;-9.31,-5,;-11.98,-.39,;-13.31,-1.16,;-13.31,-2.7,;-14.65,-.39,;-14.65,1.15,;-13.31,1.92,;-11.93,1.31,;-10.9,2.43,;-11.67,3.77,;-11.21,5.26,;-12.23,6.39,;-13.72,6.08,;-14.18,4.59,;-13.16,3.46,;-15.98,-1.16,;-17.31,-.39,;-17.31,1.15,;-18.65,-1.16,;-18.65,.38,;-18.65,-2.7,;-19.98,-3.47,;-21.32,-2.69,;-21.32,-1.15,;-19.98,-.38,;-22.65,-3.46,;-22.65,-5.01,;-23.98,-5.77,;-25.32,-5,;-25.32,-3.47,;-23.99,-2.69,;6.64,-.39,;6.64,1.15,;7.98,-1.16,;9.31,-.39,;10.65,-1.16,;10.65,-2.7,;11.98,-.39,;13.31,-1.16,;13.31,-2.7,;14.65,-3.46,;14.65,-5,;15.98,-2.7,;14.65,-.39,;14.65,1.15,;15.98,-1.16,;17.32,-.39,;17.32,1.15,;18.65,1.92,;18.65,3.46,;19.98,1.15,;18.65,-1.16,;18.65,-2.7,;19.98,-.39,;21.32,-1.16,;21.32,-2.7,;22.65,-3.46,;22.65,-5,;23.98,-5.77,;23.98,-7.31,;22.65,-8.08,;25.32,-8.08,;22.65,-.39,;23.99,-1.16,;22.65,1.15,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50405620
(CHEMBL5271538)Show InChI InChI=1S/C13H19NO2/c15-13(12-8-4-5-9-14-12)10-16-11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Phosphodiesterase 2 from pig coronary artery |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50405624
(CHEMBL5284967)Show InChI InChI=1S/C16H25NO2/c18-16(15-10-4-5-11-17-15)13-19-12-6-9-14-7-2-1-3-8-14/h1-3,7-8,15-18H,4-6,9-13H2/t15-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50045333
(CHEBI:90705 | SB-203580)Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50405617
(CHEMBL5269131)Show InChI InChI=1S/C14H21NO2/c16-14(13-8-4-5-9-15-13)11-17-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Phosphodiesterase 2 from pig coronary artery |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50405621
(CHEMBL5283861)Show InChI InChI=1S/C13H19NO2/c15-13(12-8-4-5-9-14-12)10-16-11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ability to inhibit U-46,619-induced contraction of isolated strips of rabbit thoracic aorta, which is the measure of thromboxane receptor antagonism |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50405625
(CHEMBL5274433)Show InChI InChI=1S/C17H21NO2/c19-16(15-9-3-4-11-18-15)12-20-17-10-5-7-13-6-1-2-8-14(13)17/h1-2,5-8,10,15-16,18-19H,3-4,9,11-12H2/t15-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Huntingtin
(Homo sapiens (Human)) | BDBM50595434
(CHEMBL5175104)Show SMILES CCN1CCC(CC1)c1cc(C)c2nc(cc(=O)n2c1)-c1ccc2nn(C)cc2c1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50405627
(CHEMBL5281537)Show InChI InChI=1S/C14H21NO2/c1-11-5-4-6-12(9-11)17-10-14(16)13-7-2-3-8-15-13/h4-6,9,13-16H,2-3,7-8,10H2,1H3/t13-,14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity against beta-2 adrenergic receptor in isolated guinea pig trachea |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50405619
(CHEMBL5275178)Show InChI InChI=1S/C14H21NO2/c1-11-5-4-6-12(9-11)17-10-14(16)13-7-2-3-8-15-13/h4-6,9,13-16H,2-3,7-8,10H2,1H3/t13-,14+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Phosphodiesterase 2 from pig coronary artery |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50160879
(CHEMBL3793392 | US9505736, (1S,2S,3S)-1-Fluoro-2-(...)Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(F)cn1)c1ccccc1 |r| Show InChI InChI=1S/C20H15F2N3O2/c21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-17,27H,(H,25,26)/t16-,17-,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| PDB
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Phosphodiesterase 2 from pig coronary artery |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50156820
(CHEMBL426183 | N-{4-[5-(4-fluorophenyl)-3-(2-metho...)Show SMILES COCCn1c(SC)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H21FN4O2S/c1-13(26)23-17-12-15(8-9-22-17)19-18(14-4-6-16(21)7-5-14)24-20(28-3)25(19)10-11-27-2/h4-9,12H,10-11H2,1-3H3,(H,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat neutrophil 5- Lipoxygenase (5-LO), |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50392906
(CHEMBL2152204)Show SMILES COc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1 Show InChI InChI=1S/C24H29N3O5S/c1-3-23(28)26-20-13-16-27(17-14-20)33(30,31)22-10-6-19(7-11-22)24(29)25-15-12-18-4-8-21(32-2)9-5-18/h3-11,20H,1,12-17H2,2H3,(H,25,29)(H,26,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ability to inhibit U-46,619-induced contraction of isolated strips of rat aorta, which is the measure of thromboxane receptor antagonism |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Search and Browse
