Found 38 hits of kd for UniProtKB: P0DTC2 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Spike glycoprotein
(2019-nCoV) | BDBM50582787
(CHEMBL5088895)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity of SARS-COV2 S-RBD by BLI assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00477 BindingDB Entry DOI: 10.7270/Q23N279S |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582782
(CHEMBL5088125)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant SARS-COV2 S-RBD incubated for 5 mins by microscale thermophoresis analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00477 BindingDB Entry DOI: 10.7270/Q23N279S |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50568790
(CHEMBL4869623)Show SMILES COc1cc(=O)c2c(O)c(OC)c3C[C@](C)(O)[C@@H](C(C)=O)c4c(OC)c(O)c5c6c(c(OC)cc5=O)c1c2c3c46 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to SARS-CoV-2 spike glycoprotein S RBD at 25 degreeC by surface plasmon resonance assay |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.0c01136 BindingDB Entry DOI: 10.7270/Q2PN99DW |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50580230
(CHEMBL5079992)Show SMILES CC[C@@H](C)[C@@H](NC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CCCCN)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCSC)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to SARS-CoV-2 spike protein receptor-binding domain by biolayer interferometry (BLI) assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00655 BindingDB Entry DOI: 10.7270/Q2HQ43SK |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50580228
(CHEMBL5085069)Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CC(C)C)[C@H](C)O)[C@@H](C)CC)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]([C@H](C)O)C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to SARS-CoV-2 spike protein receptor-binding domain by biolayer interferometry (BLI) assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00655 BindingDB Entry DOI: 10.7270/Q2HQ43SK |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50568789
(Hypocrellin A | Rel-Hypocrellin A)Show SMILES COc1cc(O)c2c3c1c1c(OC)cc(O)c4c1c1c([C@@H](C(C)=O)[C@@](C)(O)Cc(c(OC)c2=O)c31)c(OC)c4=O | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to SARS-CoV-2 spike glycoprotein S RBD at 25 degreeC by surface plasmon resonance assay |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.0c01136 BindingDB Entry DOI: 10.7270/Q2PN99DW |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582783
(CHEMBL5093610)Show SMILES NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(N)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant SARS-COV2 S-RBD incubated for 5 mins by microscale thermophoresis analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00477 BindingDB Entry DOI: 10.7270/Q23N279S |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582779
(CHEMBL5081573)Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant SARS-COV2 S-RBD incubated for 5 mins by microscale thermophoresis analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00477 BindingDB Entry DOI: 10.7270/Q23N279S |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50580229
(CHEMBL5078219)Show SMILES CC[C@@H](C)[C@@H](N)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCSC)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to SARS-CoV-2 spike protein receptor-binding domain by biolayer interferometry (BLI) assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00655 BindingDB Entry DOI: 10.7270/Q2HQ43SK |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582778
(CHEMBL5081268)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(N)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant SARS-COV2 S-RBD incubated for 5 mins by microscale thermophoresis analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00477 BindingDB Entry DOI: 10.7270/Q23N279S |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582780
(CHEMBL5091821)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant SARS-COV2 S-RBD incubated for 5 mins by microscale thermophoresis analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00477 BindingDB Entry DOI: 10.7270/Q23N279S |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582781
(CHEMBL5078837)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 541 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant SARS-COV2 S-RBD incubated for 5 mins by microscale thermophoresis analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00477 BindingDB Entry DOI: 10.7270/Q23N279S |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50591871
(CHEMBL5195094)Show SMILES [H][C@@]1(CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]32C)C(=O)Nc2c(OC)cccc2OC)C1(C)C)O[C@@H]1O[C@H](CO)[C@@]([H])(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@]1([H])O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r,t:16| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114426 BindingDB Entry DOI: 10.7270/Q2CV4NP0 |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582786
(CHEMBL5094988)Show SMILES CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity of SARS-COV2 S-RBD by BLI assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00477 BindingDB Entry DOI: 10.7270/Q23N279S |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582786
(CHEMBL5094988)Show SMILES CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of SARS-COV2 spike protein mediated infection of human ACE2 expressing cells |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00477 BindingDB Entry DOI: 10.7270/Q23N279S |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582784
(CHEMBL5094981)Show SMILES C=O.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of SARS-COV2 spike protein mediated infection of human ACE2 expressing cells |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00477 BindingDB Entry DOI: 10.7270/Q23N279S |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582787
(CHEMBL5088895)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to biotinylated recombinant SARS-COV2 S-RBD by SPR analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00477 BindingDB Entry DOI: 10.7270/Q23N279S |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50604261
(CHEMBL5183417)Show SMILES COc1ccc(cn1)-n1c2ccccc2nc2cc(Nc3cccc(F)c3)\c(cc12)=N\C(C)C | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.52E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114209 BindingDB Entry DOI: 10.7270/Q2SJ1QQR |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582098
(CHEMBL5080077)Show SMILES COC(=O)c1ccc2n(CC(C)C)cc(CN(CCc3ccc(cc3)-c3ccccc3)Cc3ccccc3)c2c1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.26E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2 |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50378783
(CLOFAZIMINE)Show SMILES CC(C)\N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1 Show InChI InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 3.82E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114209 BindingDB Entry DOI: 10.7270/Q2SJ1QQR |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582787
(CHEMBL5088895)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of SARS-COV2 spike protein mediated infection of human ACE2 expressing cells |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00477 BindingDB Entry DOI: 10.7270/Q23N279S |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582785
(CHEMBL5070871)Show SMILES CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of SARS-COV2 spike protein mediated infection of human ACE2 expressing cells |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00477 BindingDB Entry DOI: 10.7270/Q23N279S |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50595278
(CHEMBL5205832)Show SMILES Oc1ccc(cc1CC=C)-c1cc(CC=C)cc(CSc2nnc(o2)-c2ccccc2)c1O | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 6.94E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116838 BindingDB Entry DOI: 10.7270/Q28S4TXK |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50595279
(CHEMBL5187952)Show SMILES Oc1ccc(cc1CC=C)-c1cc(CC=C)cc(CSc2nnc(o2)-c2cccnc2)c1O | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 7.29E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116838 BindingDB Entry DOI: 10.7270/Q28S4TXK |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582099
(CHEMBL5077268)Show SMILES COC(=O)c1ccc2n(C)cc(CN(Cc3ccccc3)C(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)c2c1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2 |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50524786
(CHEMBL4467587)Show SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](O[C@]3([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@]([H])(O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC=C4[C@]6([H])[C@@H](C)[C@H](C)CC[C@@]6(CC[C@@]54C)C(=O)Nc4ccccc4OC)C3(C)C)O[C@@H]2CO)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r,t:38| Show InChI InChI=1S/C55H85NO16/c1-26-17-22-55(50(65)56-31-13-11-12-14-32(31)66-10)24-23-53(8)30(37(55)27(26)2)15-16-35-52(7)20-19-36(51(5,6)34(52)18-21-54(35,53)9)70-49-46(72-48-43(63)41(61)39(59)29(4)68-48)44(64)45(33(25-57)69-49)71-47-42(62)40(60)38(58)28(3)67-47/h11-15,26-29,33-49,57-64H,16-25H2,1-10H3,(H,56,65)/t26-,27+,28+,29+,33-,34+,35-,36+,37+,38+,39+,40-,41-,42-,43-,44+,45-,46-,47+,48+,49+,52+,53-,54-,55+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.39E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114426 BindingDB Entry DOI: 10.7270/Q2CV4NP0 |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582093
(CHEMBL5085757)Show SMILES CC(C)(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NCc1ccc(cc1)-c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.91E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2 |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582092
(CHEMBL5091761)Show SMILES CC(C)(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2 |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582097
(CHEMBL5070941)Show SMILES ClCC(=O)N[C@@H](CC=C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2 |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582094
(CHEMBL5087131)Show SMILES CC(C)C[C@H](NCc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)(C)C |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2 |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582095
(CHEMBL5093511)Show SMILES CC(C)(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC#C)NCc1ccc(cc1)-c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2 |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50582096
(CHEMBL5092252)Show SMILES C=CC[C@H](NCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)-c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113863 BindingDB Entry DOI: 10.7270/Q2SJ1QH2 |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50157304
(3',5-di-2-propenyl-1,1'-biphenyl-2,4'-diol | 3',5-...)Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116838 BindingDB Entry DOI: 10.7270/Q28S4TXK |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50422744
(CHEMBL5281974)Show InChI InChI=1S/C21H16N2O2/c24-19-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)22-20(25)23(19)18-14-8-3-9-15-18/h1-15H,(H,22,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | n/a | 4.60E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50596580
(CHEMBL5173280)Show SMILES [H][C@]12CCC(=C)[C@@H](C\C=C(/C)[C@@H]3CCc4c(O)c(CC5C(O)C(C)(C)C(O)=C(C(C)=O)C5=O)c(O)c(C(=O)CCC)c4O3)[C@]1(C)CCC[C@]2(C)C(O)=O |r,t:26| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 6.47E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.1c00805 BindingDB Entry DOI: 10.7270/Q2PC36DM |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50596581
(CHEMBL5171650)Show SMILES [H][C@]12CCC(=C)[C@@H](C\C=C(/C)[C@H]3CCc4c(O)c(CC5C(O)C(C)(C)C(O)=C(C(C)=O)C5=O)c(O)c(C(=O)CCC)c4O3)[C@]1(C)CCC[C@]2(C)C(O)=O |r,t:26| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 6.47E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.1c00805 BindingDB Entry DOI: 10.7270/Q2PC36DM |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50596581
(CHEMBL5171650)Show SMILES [H][C@]12CCC(=C)[C@@H](C\C=C(/C)[C@H]3CCc4c(O)c(CC5C(O)C(C)(C)C(O)=C(C(C)=O)C5=O)c(O)c(C(=O)CCC)c4O3)[C@]1(C)CCC[C@]2(C)C(O)=O |r,t:26| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 6.79E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.1c00805 BindingDB Entry DOI: 10.7270/Q2PC36DM |
More data for this Ligand-Target Pair | |
Spike glycoprotein
(2019-nCoV) | BDBM50596580
(CHEMBL5173280)Show SMILES [H][C@]12CCC(=C)[C@@H](C\C=C(/C)[C@@H]3CCc4c(O)c(CC5C(O)C(C)(C)C(O)=C(C(C)=O)C5=O)c(O)c(C(=O)CCC)c4O3)[C@]1(C)CCC[C@]2(C)C(O)=O |r,t:26| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 9.17E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.1c00805 BindingDB Entry DOI: 10.7270/Q2PC36DM |
More data for this Ligand-Target Pair | |