BDBM50498831 CHEMBL3629520

SMILES: CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccc(cc2)-c2ccccc2)C1=O)C(O)=O

InChI Key: InChIKey=IZTIYDBJPFZJGA-RUZDIDTESA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50498831   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50498831 (CHEMBL3629520) Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccc(cc2)-c2ccccc2)C1=O)C(O)=O |r,t:5| Show InChI InChI=1S/C28H28N2O3/c1-18(2)15-25-27(31)30(26-16-23(28(32)33)13-14-24(26)19(3)29-25)17-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-14,16,18,25H,15,17H2,1-3H3,(H,32,33)/t25-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...				Bioorg Med Chem 23: 7095-109 (2015) Article DOI: 10.1016/j.bmc.2015.09.002 BindingDB Entry DOI: 10.7270/Q2JH3Q5T
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