BDBM50505276 CHEMBL4540823
SMILES: COc1ccc(-c2ccc(CNC(=O)COCCOCCOCCOCCn3cc(COCCOCCOCCOCCNc4ccc(cc4[N+]([O-])=O)[N+]([O-])=O)nn3)o2)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12
InChI Key: InChIKey=CMGMFPLYZMLLPG-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
envelope glycoprotein (Human immunodeficiency virus 1) | BDBM50505276 (CHEMBL4540823) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 gp120 assessed as increase in anti-DNP binding to immobilized HIV-1 gp120 incubated for 1 hr by ELISA | J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
envelope glycoprotein (Human immunodeficiency virus 1) | BDBM50505276 (CHEMBL4540823) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 JRFL gp120 assessed as reduction in CD4/gp 120 complex formation incubated for 1 hr by ELISA | J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359 | |||||||||||
More data for this Ligand-Target Pair |