BDBM50011682 Ac-Ser-Leu-Asn-Phe-HEA(S)-Pro-O-terbutyl::BDBM50407039::CHEMBL131802::CHEMBL277464

SMILES: CC(C)C[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCC[C@H]1C(=O)OC(C)(C)C

InChI Key: InChIKey=RVPAPDVKPJPBPS-MZKNUPIQSA-N

Data: 2 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 2 hits for monomerid = 50011682   

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)	BDBM50011682 (Ac-Ser-Leu-Asn-Phe-HEA(S)-Pro-O-terbutyl | BDBM504...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCC[C@H]1C(=O)OC(C)(C)C Show InChI InChI=1S/C34H54N6O9/c1-20(2)15-24(38-32(47)26(19-41)36-21(3)42)30(45)39-25(17-29(35)44)31(46)37-23(16-22-11-8-7-9-12-22)28(43)18-40-14-10-13-27(40)33(48)49-34(4,5)6/h7-9,11-12,20,23-28,41,43H,10,13-19H2,1-6H3,(H2,35,44)(H,36,42)(H,37,46)(H,38,47)(H,39,45)/t23-,24+,25?,26?,27+,28-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50011682 (Ac-Ser-Leu-Asn-Phe-HEA(S)-Pro-O-terbutyl | BDBM504...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCC[C@H]1C(=O)OC(C)(C)C Show InChI InChI=1S/C34H54N6O9/c1-20(2)15-24(38-32(47)26(19-41)36-21(3)42)30(45)39-25(17-29(35)44)31(46)37-23(16-22-11-8-7-9-12-22)28(43)18-40-14-10-13-27(40)33(48)49-34(4,5)6/h7-9,11-12,20,23-28,41,43H,10,13-19H2,1-6H3,(H2,35,44)(H,36,42)(H,37,46)(H,38,47)(H,39,45)/t23-,24+,25?,26?,27+,28-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description In vitro concentration of the compound required to inhibit 50% activity of HIV protease was measured				J Med Chem 34: 1222-5 (1991) BindingDB Entry DOI: 10.7270/Q2057DWM
					More data for this Ligand-Target Pair