BDBM518 (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboxamide::AG-1343::CHEMBL584::Nelfinavir::Viracept

SMILES: Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C

InChI Key: InChIKey=QAGYKUNXZHXKMR-UHFFFAOYSA-N

Data: 28 KI  18 ITC

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 28 hits for monomerid = 518   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0100	-15.0	n/a	n/a	n/a	n/a	n/a	6.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,A572V] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.220	-13.7	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.254	-13.1	n/a	n/a	n/a	n/a	n/a	5.0	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.530	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,M537I,A572V] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.630	-13.0	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,M537I] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.900	-12.8	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	-12.7	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	-12.7	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,V583F] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	-12.7	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	-12.7	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,I573V] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		1.90	-11.9	n/a	n/a	n/a	n/a	n/a	5.0	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		2	-12.3	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A,V564F] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,D531N,M537I] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		6	-11.7	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,D531N,A572V] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		6.10	-11.6	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,D531N] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		6.80	-11.6	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		17	-11.0	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,L579M] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,I543V,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		23	-10.8	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,L552P,A560V,V571A,I573V,L579M] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,D531N,M537I,A572V] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		26	-10.8	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,M535I,L552P,A560V,V571A,I573V,L579M] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,M535I,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		116	-9.84	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,V572F,L579M] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,S526D,M535I,R546K,L552P,A560V,G562S,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		445	-8.66	n/a	n/a	n/a	n/a	n/a	5.0	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,M535I,I543V,L552P,A560V,V571A,I573V,L579M] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		563	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,S526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		722	-8.37	n/a	n/a	n/a	n/a	n/a	5.0	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,I543V,L552P,A560V,V571A,I573V,L579M] (Human immunodeficiency virus type 1)	BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) Show SMILES Show InChI	GoogleScholar	UniChem		1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair