BDBM50483626 CHEMBL1761676

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)Nc1cccc(O)c1

InChI Key: InChIKey=SUNJVZWWPUGLHW-IVDANQHDSA-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 = 50483626   

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)	BDBM50483626 (CHEMBL1761676) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)Nc1cccc(O)c1 |r| Show InChI InChI=1S/C23H35N5O8/c1-4-12(2)19(28-21(34)16(24)11-29)23(36)25-13(3)20(33)27-17(8-9-18(31)32)22(35)26-14-6-5-7-15(30)10-14/h5-7,10,12-13,16-17,19,29-30H,4,8-9,11,24H2,1-3H3,(H,25,36)(H,26,35)(H,27,33)(H,28,34)(H,31,32)/t12-,13-,16-,17-,19-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...				Eur J Med Chem 46: 3976-85 (2011) Article DOI: 10.1016/j.ejmech.2011.05.071 BindingDB Entry DOI: 10.7270/Q2WD43DZ
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483626 (CHEMBL1761676) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)Nc1cccc(O)c1 |r| Show InChI InChI=1S/C23H35N5O8/c1-4-12(2)19(28-21(34)16(24)11-29)23(36)25-13(3)20(33)27-17(8-9-18(31)32)22(35)26-14-6-5-7-15(30)10-14/h5-7,10,12-13,16-17,19,29-30H,4,8-9,11,24H2,1-3H3,(H,25,36)(H,26,35)(H,27,33)(H,28,34)(H,31,32)/t12-,13-,16-,17-,19-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-...				Bioorg Med Chem Lett 21: 2274-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.105 BindingDB Entry DOI: 10.7270/Q2QZ2DST
					More data for this Ligand-Target Pair