BDBM50483621 CHEMBL1761679

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

InChI Key: InChIKey=PXOOBQOHKOBRIX-IBBVTADVSA-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 = 50483621   

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)	BDBM50483621 (CHEMBL1761679) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:37:38:45.44:42,40:39:45.44:42| Show InChI InChI=1S/C31H46N6O9/c1-5-11(4)24(35-25(41)14(32)9-38)28(44)34-23(10(2)3)27(43)33-15(6-7-16(39)40)26(42)36-31-20-13-8-12-17-18(13)22(31)21(17)30(46,19(12)20)29(45)37-31/h10-15,17-24,38,46H,5-9,32H2,1-4H3,(H,33,43)(H,34,44)(H,35,41)(H,36,42)(H,37,45)(H,39,40)/t11-,12?,13?,14-,15-,17?,18?,19?,20?,21?,22?,23-,24-,30?,31?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	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))	BDBM50483621 (CHEMBL1761679) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:37:38:45.44:42,40:39:45.44:42| Show InChI InChI=1S/C31H46N6O9/c1-5-11(4)24(35-25(41)14(32)9-38)28(44)34-23(10(2)3)27(43)33-15(6-7-16(39)40)26(42)36-31-20-13-8-12-17-18(13)22(31)21(17)30(46,19(12)20)29(45)37-31/h10-15,17-24,38,46H,5-9,32H2,1-4H3,(H,33,43)(H,34,44)(H,35,41)(H,36,42)(H,37,45)(H,39,40)/t11-,12?,13?,14-,15-,17?,18?,19?,20?,21?,22?,23-,24-,30?,31?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	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