BDBM50156914 (S)-methyl 2-((S)-2-((S)-2-(4-(7-(4-((2S,3S)-1-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-ylamino)-3-methyl-1-oxopentan-2-ylamino)-4-oxobutoxy)naphthalen-2-yloxy)butanamido)-3-methylbutanamido)-4-methylpentanamido)-3-methylbutanoate::CHEMBL222971

SMILES: CC[C@H](C)[C@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2c1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O

InChI Key: InChIKey=HCWUZEWHLXRLRK-BUDICBDCSA-N

Data: 2 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 3 hits for monomerid = 50156914   

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)	BDBM50156914 ((S)-methyl 2-((S)-2-((S)-2-(4-(7-(4-((2S,3S)-1-((2...) Show SMILES CC[C@H](C)[C@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2c1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C45H70N6O11/c1-11-28(8)39(44(58)51-40(29(9)52)41(46)55)49-36(54)15-13-21-62-33-19-17-30-16-18-32(23-31(30)24-33)61-20-12-14-35(53)48-37(26(4)5)43(57)47-34(22-25(2)3)42(56)50-38(27(6)7)45(59)60-10/h16-19,23-29,34,37-40,52H,11-15,20-22H2,1-10H3,(H2,46,55)(H,47,57)(H,48,53)(H,49,54)(H,50,56)(H,51,58)/t28-,29+,34-,37-,38-,39-,40-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50156914 ((S)-methyl 2-((S)-2-((S)-2-(4-(7-(4-((2S,3S)-1-((2...) Show SMILES CC[C@H](C)[C@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2c1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C45H70N6O11/c1-11-28(8)39(44(58)51-40(29(9)52)41(46)55)49-36(54)15-13-21-62-33-19-17-30-16-18-32(23-31(30)24-33)61-20-12-14-35(53)48-37(26(4)5)43(57)47-34(22-25(2)3)42(56)50-38(27(6)7)45(59)60-10/h16-19,23-29,34,37-40,52H,11-15,20-22H2,1-10H3,(H2,46,55)(H,47,57)(H,48,53)(H,49,54)(H,50,56)(H,51,58)/t28-,29+,34-,37-,38-,39-,40-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50156914 ((S)-methyl 2-((S)-2-((S)-2-(4-(7-(4-((2S,3S)-1-((2...) Show SMILES CC[C@H](C)[C@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2c1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C45H70N6O11/c1-11-28(8)39(44(58)51-40(29(9)52)41(46)55)49-36(54)15-13-21-62-33-19-17-30-16-18-32(23-31(30)24-33)61-20-12-14-35(53)48-37(26(4)5)43(57)47-34(22-25(2)3)42(56)50-38(27(6)7)45(59)60-10/h16-19,23-29,34,37-40,52H,11-15,20-22H2,1-10H3,(H2,46,55)(H,47,57)(H,48,53)(H,49,54)(H,50,56)(H,51,58)/t28-,29+,34-,37-,38-,39-,40-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair