BDBM50041023 (1-{(1S,2S,3S,4S)-1-Benzyl-2,3-dihydroxy-4-[3-methyl-2-(pyridin-2-ylmethoxycarbonylamino)-butyrylamino]-5-phenyl-pentylcarbamoyl}-2-methyl-propyl)-carbamic acid pyridin-2-ylmethyl ester::CHEMBL9711

SMILES: CC(C)C(NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccn1)C(C)C

InChI Key: InChIKey=HKIRXDARVDUJOP-KMNHAHIVSA-N

Data: 1 KI  1 EC50

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 = 50041023   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50041023 ((1-{(1S,2S,3S,4S)-1-Benzyl-2,3-dihydroxy-4-[3-meth...) Show SMILES CC(C)C(NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccn1)C(C)C Show InChI InChI=1S/C42H52N6O8/c1-27(2)35(47-41(53)55-25-31-19-11-13-21-43-31)39(51)45-33(23-29-15-7-5-8-16-29)37(49)38(50)34(24-30-17-9-6-10-18-30)46-40(52)36(28(3)4)48-42(54)56-26-32-20-12-14-22-44-32/h5-22,27-28,33-38,49-50H,23-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33-,34-,35?,36?,37-,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against HIV-1 protease				J Med Chem 37: 1035-54 (1994) BindingDB Entry DOI: 10.7270/Q26Q1XWX
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50041023 ((1-{(1S,2S,3S,4S)-1-Benzyl-2,3-dihydroxy-4-[3-meth...) Show SMILES CC(C)C(NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccn1)C(C)C Show InChI InChI=1S/C42H52N6O8/c1-27(2)35(47-41(53)55-25-31-19-11-13-21-43-31)39(51)45-33(23-29-15-7-5-8-16-29)37(49)38(50)34(24-30-17-9-6-10-18-30)46-40(52)36(28(3)4)48-42(54)56-26-32-20-12-14-22-44-32/h5-22,27-28,33-38,49-50H,23-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33-,34-,35?,36?,37-,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Effective concentration of compound for inhibition of HIV 1 protease was determined				J Med Chem 37: 1035-54 (1994) BindingDB Entry DOI: 10.7270/Q26Q1XWX
					More data for this Ligand-Target Pair