Found 11 hits with Last Name = 'lima' and Initial = 'mdca' 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 |
|---|
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50469275
(CHEMBL4290673)Show InChI InChI=1S/C12H9BrN4O/c13-9-1-2-11-10(5-9)8(6-15-11)7-16-17-12(18)3-4-14/h1-2,5-7,15H,3H2,(H,17,18)/b16-7+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco (UFPE)
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 1 hr |
Bioorg Med Chem 26: 5388-5396 (2018)
Article DOI: 10.1016/j.bmc.2018.07.024
BindingDB Entry DOI: 10.7270/Q26T0QCC |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50469275
(CHEMBL4290673)Show InChI InChI=1S/C12H9BrN4O/c13-9-1-2-11-10(5-9)8(6-15-11)7-16-17-12(18)3-4-14/h1-2,5-7,15H,3H2,(H,17,18)/b16-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco (UFPE)
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal His6-tagged human COX-2 expressed in Baculovirus infected Sf21 cells using arachidonic acid as substrate preincu... |
Bioorg Med Chem 26: 5388-5396 (2018)
Article DOI: 10.1016/j.bmc.2018.07.024
BindingDB Entry DOI: 10.7270/Q26T0QCC |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco (UFPE)
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal His6-tagged human COX-2 expressed in Baculovirus infected Sf21 cells using arachidonic acid as substrate preincu... |
Bioorg Med Chem 26: 5388-5396 (2018)
Article DOI: 10.1016/j.bmc.2018.07.024
BindingDB Entry DOI: 10.7270/Q26T0QCC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50426071
(CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...)Show InChI InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
| | n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50431275
(CARMOFUR | Carm-ofur | Mifurol | med.21724, Compou...)Show InChI InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM34233
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50469276
(CHEMBL4282782)Show InChI InChI=1S/C12H10N4O/c13-6-5-12(17)16-15-8-9-7-14-11-4-2-1-3-10(9)11/h1-4,7-8,14H,5H2,(H,16,17)/b15-8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco (UFPE)
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal His6-tagged human COX-2 expressed in Baculovirus infected Sf21 cells using arachidonic acid as substrate preincu... |
Bioorg Med Chem 26: 5388-5396 (2018)
Article DOI: 10.1016/j.bmc.2018.07.024
BindingDB Entry DOI: 10.7270/Q26T0QCC |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50469276
(CHEMBL4282782)Show InChI InChI=1S/C12H10N4O/c13-6-5-12(17)16-15-8-9-7-14-11-4-2-1-3-10(9)11/h1-4,7-8,14H,5H2,(H,16,17)/b15-8+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco (UFPE)
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 1 hr |
Bioorg Med Chem 26: 5388-5396 (2018)
Article DOI: 10.1016/j.bmc.2018.07.024
BindingDB Entry DOI: 10.7270/Q26T0QCC |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco (UFPE)
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 1 hr |
Bioorg Med Chem 26: 5388-5396 (2018)
Article DOI: 10.1016/j.bmc.2018.07.024
BindingDB Entry DOI: 10.7270/Q26T0QCC |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Middle East respiratory syndrome-related coronavir...) | BDBM50058655
(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
| | n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50058655
(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
| | n/a | n/a | 2.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Search and Browse
