BDBM50281340 5-{[(2-Chloro-ethyl)-ethyl-amino]-methyl}-3,3-diphenyl-dihydro-furan-2-one::CHEMBL98987

SMILES: CCN(CCCl)CC1CC(C(=O)O1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=KXAHVZWNLQSGOP-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50281340   

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 gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50281340 (5-{[(2-Chloro-ethyl)-ethyl-amino]-methyl}-3,3-diph...) Show SMILES CCN(CCCl)CC1CC(C(=O)O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H24ClNO2/c1-2-23(14-13-22)16-19-15-21(20(24)25-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for ability to block the CD4-gp120 interaction measured by binding of [125I]-sCD4 to gp120				Bioorg Med Chem Lett 3: 2851-2856 (1993) Article DOI: 10.1016/S0960-894X(01)80778-2 BindingDB Entry DOI: 10.7270/Q2XP74VD
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50281340 (5-{[(2-Chloro-ethyl)-ethyl-amino]-methyl}-3,3-diph...) Show SMILES CCN(CCCl)CC1CC(C(=O)O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H24ClNO2/c1-2-23(14-13-22)16-19-15-21(20(24)25-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for rate constant of binding to inhibit soluble recombinant CD4-gp120 ; value ranges form 4-20 uM				Bioorg Med Chem Lett 3: 2851-2856 (1993) Article DOI: 10.1016/S0960-894X(01)80778-2 BindingDB Entry DOI: 10.7270/Q2XP74VD
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50281340 (5-{[(2-Chloro-ethyl)-ethyl-amino]-methyl}-3,3-diph...) Show SMILES CCN(CCCl)CC1CC(C(=O)O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H24ClNO2/c1-2-23(14-13-22)16-19-15-21(20(24)25-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in an HIV viral syncytium assay for inhibition of binding of recombinant CD4-gp120				Bioorg Med Chem Lett 3: 2851-2856 (1993) Article DOI: 10.1016/S0960-894X(01)80778-2 BindingDB Entry DOI: 10.7270/Q2XP74VD
					More data for this Ligand-Target Pair