BDBM50480048 CHEMBL466684

SMILES: [O-]C1[C@H](Cc2ccccc2)NC(=O)N(Cc2ccccc2)[N+]11CCCCC1

InChI Key: InChIKey=HHAFGLUSRSKGJZ-BGERDNNASA-N

Data: 3 KI  1 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 4 hits for monomerid = 50480048   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480048 (CHEMBL466684) Show SMILES [O-]C1[C@H](Cc2ccccc2)NC(=O)N(Cc2ccccc2)[N+]11CCCCC1 |r| Show InChI InChI=1S/C22H27N3O2/c26-21-20(16-18-10-4-1-5-11-18)23-22(27)24(17-19-12-6-2-7-13-19)25(21)14-8-3-9-15-25/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,23,27)/t20-,21?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.62E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Lineweaver-Burke method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480048 (CHEMBL466684) Show SMILES [O-]C1[C@H](Cc2ccccc2)NC(=O)N(Cc2ccccc2)[N+]11CCCCC1 |r| Show InChI InChI=1S/C22H27N3O2/c26-21-20(16-18-10-4-1-5-11-18)23-22(27)24(17-19-12-6-2-7-13-19)25(21)14-8-3-9-15-25/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,23,27)/t20-,21?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.62E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Hanes method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480048 (CHEMBL466684) Show SMILES [O-]C1[C@H](Cc2ccccc2)NC(=O)N(Cc2ccccc2)[N+]11CCCCC1 |r| Show InChI InChI=1S/C22H27N3O2/c26-21-20(16-18-10-4-1-5-11-18)23-22(27)24(17-19-12-6-2-7-13-19)25(21)14-8-3-9-15-25/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,23,27)/t20-,21?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by Dixon method				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480048 (CHEMBL466684) Show SMILES [O-]C1[C@H](Cc2ccccc2)NC(=O)N(Cc2ccccc2)[N+]11CCCCC1 |r| Show InChI InChI=1S/C22H27N3O2/c26-21-20(16-18-10-4-1-5-11-18)23-22(27)24(17-19-12-6-2-7-13-19)25(21)14-8-3-9-15-25/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,23,27)/t20-,21?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon-ENS Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by FRET assay				Bioorg Med Chem 17: 3671-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.059 BindingDB Entry DOI: 10.7270/Q2G163NB
					More data for this Ligand-Target Pair