BDBM50505273 CHEMBL3800574

SMILES: C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2nccc(OCCOCCOCCOCCOCCOCCn3cc(COCCOCCOCCOCCNc4ccc(cc4[N+]([O-])=O)[N+]([O-])=O)nn3)c12)C(=O)c1ccccc1

InChI Key: InChIKey=AONRLXDMWMDCFP-KXQOOQHDSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50505273   

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)	BDBM50505273 (CHEMBL3800574) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2nccc(OCCOCCOCCOCCOCCOCCn3cc(COCCOCCOCCOCCNc4ccc(cc4[N+]([O-])=O)[N+]([O-])=O)nn3)c12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C50H66N10O17/c1-38-35-56(49(62)39-5-3-2-4-6-39)12-13-58(38)50(63)47(61)42-34-53-48-46(42)45(9-10-52-48)77-32-31-75-28-27-73-24-23-72-22-21-71-20-18-69-16-14-57-36-40(54-55-57)37-76-30-29-74-26-25-70-19-17-68-15-11-51-43-8-7-41(59(64)65)33-44(43)60(66)67/h2-10,33-34,36,38,51H,11-32,35,37H2,1H3,(H,52,53)/t38-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.79E+4	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)	BDBM50505273 (CHEMBL3800574) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2nccc(OCCOCCOCCOCCOCCOCCn3cc(COCCOCCOCCOCCNc4ccc(cc4[N+]([O-])=O)[N+]([O-])=O)nn3)c12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C50H66N10O17/c1-38-35-56(49(62)39-5-3-2-4-6-39)12-13-58(38)50(63)47(61)42-34-53-48-46(42)45(9-10-52-48)77-32-31-75-28-27-73-24-23-72-22-21-71-20-18-69-16-14-57-36-40(54-55-57)37-76-30-29-74-26-25-70-19-17-68-15-11-51-43-8-7-41(59(64)65)33-44(43)60(66)67/h2-10,33-34,36,38,51H,11-32,35,37H2,1H3,(H,52,53)/t38-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.99E+4	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