null
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
InChI Key:
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) | BDBM50582786![]() (CHEMBL5094988) | 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) | 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 |