BDBM50498862 CHEMBL3629516

SMILES: CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccccc2)C1=O)C(O)=O

InChI Key: InChIKey=JBFKXHYJAOYXGI-LJQANCHMSA-N

Data: 1 KI

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 1 hit for monomerid = 50498862   

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))	BDBM50498862 (CHEMBL3629516) Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccccc2)C1=O)C(O)=O |r,t:5| Show InChI InChI=1S/C22H24N2O3/c1-14(2)11-19-21(25)24(13-16-7-5-4-6-8-16)20-12-17(22(26)27)9-10-18(20)15(3)23-19/h4-10,12,14,19H,11,13H2,1-3H3,(H,26,27)/t19-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	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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