BDBM50023611 CHEMBL2380932
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
GP41 (Human immunodeficiency virus 1) | BDBM50023611 (CHEMBL2380932) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology& Toxicology Curated by ChEMBL | Assay Description Inhibition of HIV1 gp41 NHR assessed as inhibition of 6HB formation by FRET assay | J Med Chem 57: 7342-54 (2014) Article DOI: 10.1021/jm500763m BindingDB Entry DOI: 10.7270/Q2GF0W3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GP41 (Human immunodeficiency virus 1) | BDBM50023611 (CHEMBL2380932) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology& Toxicology Curated by ChEMBL | Assay Description Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells com... | J Med Chem 57: 7342-54 (2014) Article DOI: 10.1021/jm500763m BindingDB Entry DOI: 10.7270/Q2GF0W3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GP41 (Human immunodeficiency virus 1) | BDBM50023611 (CHEMBL2380932) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology& Toxicology Curated by ChEMBL | Assay Description Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells com... | J Med Chem 57: 7342-54 (2014) Article DOI: 10.1021/jm500763m BindingDB Entry DOI: 10.7270/Q2GF0W3J | |||||||||||
More data for this Ligand-Target Pair |