BDBM93238 HIV-1 Protease Inhibitor, 6i

SMILES: CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1cccnc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1cccnc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C

InChI Key: InChIKey=FDKZRYDFDPEORG-CXPJILFNSA-N

Data: 2 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 2 hits for monomerid = 93238   

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
HIV-1 protease (Human immunodeficiency virus)	BDBM93238 (HIV-1 Protease Inhibitor, 6i) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1cccnc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1cccnc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C44H54N8O10/c1-25(2)33(41(57)45-5)51-43(59)37(61-23-27-13-7-9-17-31(27)39(55)49-29-15-11-19-47-21-29)35(53)36(54)38(44(60)52-34(26(3)4)42(58)46-6)62-24-28-14-8-10-18-32(28)40(56)50-30-16-12-20-48-22-30/h7-22,25-26,33-38,53-54H,23-24H2,1-6H3,(H,45,57)(H,46,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t33-,34-,35+,36+,37+,38+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Fluorometric assay using HIV-1 protease.				J Comb Chem 7: 611-7 (2005) Article DOI: 10.1021/cc050016r BindingDB Entry DOI: 10.7270/Q2GQ6WC5
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM93238 (HIV-1 Protease Inhibitor, 6i) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)Nc1cccnc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)Nc1cccnc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C44H54N8O10/c1-25(2)33(41(57)45-5)51-43(59)37(61-23-27-13-7-9-17-31(27)39(55)49-29-15-11-19-47-21-29)35(53)36(54)38(44(60)52-34(26(3)4)42(58)46-6)62-24-28-14-8-10-18-32(28)40(56)50-30-16-12-20-48-22-30/h7-22,25-26,33-38,53-54H,23-24H2,1-6H3,(H,45,57)(H,46,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t33-,34-,35+,36+,37+,38+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Fluorometric assay using HIV-1 protease.				J Comb Chem 7: 611-7 (2005) Article DOI: 10.1021/cc050016r BindingDB Entry DOI: 10.7270/Q2GQ6WC5
					More data for this Ligand-Target Pair