BDBM50403347 CHEMBL2115564

SMILES: CCCc1cnc(s1)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1

InChI Key: InChIKey=LIVPIXYPZUWCBQ-AFESJLNVSA-N

Data: 3 KI

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 = 50403347   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50403347 (CHEMBL2115564) Show SMILES CCCc1cnc(s1)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C29H38N2O3S/c1-5-12-24-20-30-27(35-24)23(17-21-13-8-6-9-14-21)19-26(32)25(18-22-15-10-7-11-16-22)31-28(33)34-29(2,3)4/h6-11,13-16,20,23,25-26,32H,5,12,17-19H2,1-4H3,(H,31,33)/t23-,25+,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 4: 2441-2446 (1994) Article DOI: 10.1016/S0960-894X(01)80406-6 BindingDB Entry DOI: 10.7270/Q2X63P48
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50403347 (CHEMBL2115564) Show SMILES CCCc1cnc(s1)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C29H38N2O3S/c1-5-12-24-20-30-27(35-24)23(17-21-13-8-6-9-14-21)19-26(32)25(18-22-15-10-7-11-16-22)31-28(33)34-29(2,3)4/h6-11,13-16,20,23,25-26,32H,5,12,17-19H2,1-4H3,(H,31,33)/t23-,25+,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 4: 2441-2446 (1994) Article DOI: 10.1016/S0960-894X(01)80406-6 BindingDB Entry DOI: 10.7270/Q2X63P48
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50403347 (CHEMBL2115564) Show SMILES CCCc1cnc(s1)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C29H38N2O3S/c1-5-12-24-20-30-27(35-24)23(17-21-13-8-6-9-14-21)19-26(32)25(18-22-15-10-7-11-16-22)31-28(33)34-29(2,3)4/h6-11,13-16,20,23,25-26,32H,5,12,17-19H2,1-4H3,(H,31,33)/t23-,25+,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 4: 2441-2446 (1994) Article DOI: 10.1016/S0960-894X(01)80406-6 BindingDB Entry DOI: 10.7270/Q2X63P48
					More data for this Ligand-Target Pair