Found 8 hits in this display 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 |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50599323
(CHEBI:69120 | CHEMBL517080)Show SMILES [H][C@@]12C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@@]5([H])CC(C)=C(CO)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |r,c:37,t:17| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00521 BindingDB Entry DOI: 10.7270/Q2V69PM6 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50599323
(CHEBI:69120 | CHEMBL517080)Show SMILES [H][C@@]12C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@@]5([H])CC(C)=C(CO)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |r,c:37,t:17| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00521 BindingDB Entry DOI: 10.7270/Q2V69PM6 |
More data for this Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM68180
(MLS000876826 | SMR000440592 | cid_16745397)Show SMILES [H][C@@]12CC3C(CC[C@]4(C)C(CC[C@@]34[H])[C@H](C)C3CC(C)=C(CO)C(=O)O3)[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |c:33,t:21| Show InChI InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16?,18?,19-,20?,21?,23-,24+,26+,27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| PCBioAssay
| n/a | n/a | 2.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2012)
BindingDB Entry DOI: 10.7270/Q2T15278 |
More data for this Ligand-Target Pair | |
DNA damage-inducible transcript 3 protein
(Mus musculus) | BDBM68180
(MLS000876826 | SMR000440592 | cid_16745397)Show SMILES [H][C@@]12CC3C(CC[C@]4(C)C(CC[C@@]34[H])[C@H](C)C3CC(C)=C(CO)C(=O)O3)[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |c:33,t:21| Show InChI InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16?,18?,19-,20?,21?,23-,24+,26+,27-,28+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| PCBioAssay
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2PC30VZ |
More data for this Ligand-Target Pair | |
DNA damage-inducible transcript 3 protein
(Mus musculus) | BDBM68180
(MLS000876826 | SMR000440592 | cid_16745397)Show SMILES [H][C@@]12CC3C(CC[C@]4(C)C(CC[C@@]34[H])[C@H](C)C3CC(C)=C(CO)C(=O)O3)[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |c:33,t:21| Show InChI InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16?,18?,19-,20?,21?,23-,24+,26+,27-,28+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| PCBioAssay
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q28C9TQN |
More data for this Ligand-Target Pair | |
X-box-binding protein 1
(Homo sapiens (Human)) | BDBM68180
(MLS000876826 | SMR000440592 | cid_16745397)Show SMILES [H][C@@]12CC3C(CC[C@]4(C)C(CC[C@@]34[H])[C@H](C)C3CC(C)=C(CO)C(=O)O3)[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |c:33,t:21| Show InChI InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16?,18?,19-,20?,21?,23-,24+,26+,27-,28+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q2NK3CGB |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa) | BDBM68180
(MLS000876826 | SMR000440592 | cid_16745397)Show SMILES [H][C@@]12CC3C(CC[C@]4(C)C(CC[C@@]34[H])[C@H](C)C3CC(C)=C(CO)C(=O)O3)[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |c:33,t:21| Show InChI InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16?,18?,19-,20?,21?,23-,24+,26+,27-,28+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| PCBioAssay
| n/a | n/a | >4.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2012)
BindingDB Entry DOI: 10.7270/Q2XS5T0R |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM68180
(MLS000876826 | SMR000440592 | cid_16745397)Show SMILES [H][C@@]12CC3C(CC[C@]4(C)C(CC[C@@]34[H])[C@H](C)C3CC(C)=C(CO)C(=O)O3)[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |c:33,t:21| Show InChI InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16?,18?,19-,20?,21?,23-,24+,26+,27-,28+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| PCBioAssay
| n/a | n/a | >6.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS... |
PubChem Bioassay (2012)
BindingDB Entry DOI: 10.7270/Q2FT8JMN |
More data for this Ligand-Target Pair | |