BDBM93245 HIV-1 Protease Inhibitor, 7b

SMILES: CCCCNC(=O)c1cccc(CO[C@H]([C@H](O)[C@@H](O)[C@@H](OCc2cccc(c2)C(=O)NCCCC)C(=O)N[C@@H](C(C)C)C(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)NC)c1

InChI Key: InChIKey=HIRGYMRFPJWYTJ-UWNKZCSISA-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 = 93245   

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)	BDBM93245 (HIV-1 Protease Inhibitor, 7b) Show SMILES CCCCNC(=O)c1cccc(CO[C@H]([C@H](O)[C@@H](O)[C@@H](OCc2cccc(c2)C(=O)NCCCC)C(=O)N[C@@H](C(C)C)C(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)NC)c1 |r| Show InChI InChI=1S/C42H64N6O10/c1-9-11-19-45-37(51)29-17-13-15-27(21-29)23-57-35(41(55)47-31(25(3)4)39(53)43-7)33(49)34(50)36(42(56)48-32(26(5)6)40(54)44-8)58-24-28-16-14-18-30(22-28)38(52)46-20-12-10-2/h13-18,21-22,25-26,31-36,49-50H,9-12,19-20,23-24H2,1-8H3,(H,43,53)(H,44,54)(H,45,51)(H,46,52)(H,47,55)(H,48,56)/t31-,32-,33+,34+,35+,36+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	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)	BDBM93245 (HIV-1 Protease Inhibitor, 7b) Show SMILES CCCCNC(=O)c1cccc(CO[C@H]([C@H](O)[C@@H](O)[C@@H](OCc2cccc(c2)C(=O)NCCCC)C(=O)N[C@@H](C(C)C)C(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)NC)c1 |r| Show InChI InChI=1S/C42H64N6O10/c1-9-11-19-45-37(51)29-17-13-15-27(21-29)23-57-35(41(55)47-31(25(3)4)39(53)43-7)33(49)34(50)36(42(56)48-32(26(5)6)40(54)44-8)58-24-28-16-14-18-30(22-28)38(52)46-20-12-10-2/h13-18,21-22,25-26,31-36,49-50H,9-12,19-20,23-24H2,1-8H3,(H,43,53)(H,44,54)(H,45,51)(H,46,52)(H,47,55)(H,48,56)/t31-,32-,33+,34+,35+,36+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.5	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