BDBM50483627 CHEMBL1761678

SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21

InChI Key: InChIKey=FZINVUNMMCVSEY-VDKNVLLZSA-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 = 50483627   

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)	BDBM50483627 (CHEMBL1761678) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:29:30:37.36:34,32:31:37.36:34| Show InChI InChI=1S/C26H37N5O7/c1-4-8(2)20(27)23(36)28-9(3)21(34)29-12(5-6-13(32)33)22(35)30-26-17-11-7-10-14-15(11)19(26)18(14)25(38,16(10)17)24(37)31-26/h8-12,14-20,38H,4-7,27H2,1-3H3,(H,28,36)(H,29,34)(H,30,35)(H,31,37)(H,32,33)/t8-,9-,10?,11?,12-,14?,15?,16?,17?,18?,19?,20-,25?,26?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	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))	BDBM50483627 (CHEMBL1761678) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:29:30:37.36:34,32:31:37.36:34| Show InChI InChI=1S/C26H37N5O7/c1-4-8(2)20(27)23(36)28-9(3)21(34)29-12(5-6-13(32)33)22(35)30-26-17-11-7-10-14-15(11)19(26)18(14)25(38,16(10)17)24(37)31-26/h8-12,14-20,38H,4-7,27H2,1-3H3,(H,28,36)(H,29,34)(H,30,35)(H,31,37)(H,32,33)/t8-,9-,10?,11?,12-,14?,15?,16?,17?,18?,19?,20-,25?,26?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	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