BDBM50061306 (3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenylsulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide; compound with methanesulfonic acid::AG-1343::CHEMBL1205::NELFINAVIR MESYLATE::Nelfinavir::Viracept::cmdc.202100576, 24h

SMILES: Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O

InChI Key: InChIKey=QAGYKUNXZHXKMR-UHFFFAOYSA-N

Data: 11 KI  23 IC50  3 Kd

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 37 hits for monomerid = 50061306   

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
Potassium voltage-gated channel subfamily D member 3 (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.01E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Solute carrier family 22 member 1 (Rat)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.16E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily E/KQT member 1 (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0700	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
Protease (Human immunodeficiency virus type 1)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.931	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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		2	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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		2	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
HIV-1 protease (Human immunodeficiency virus)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		3.20	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
HIV-1 protease (Human immunodeficiency virus)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		3.80	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
HIV-1 protease (Human immunodeficiency virus)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		10	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
HIV-1 protease (Human immunodeficiency virus)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		18	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
HIV-1 protease (Human immunodeficiency virus)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		32	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
Cytochrome P450 3A4 (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		480	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
Cytochrome P450 3A5 (Human)	BDBM50061306 (CHEMBL1205 | Viracept | (3S,4aS,8aS)-2-[(2R,3R)-2-...) Show SMILES Show InChI	GoogleScholar	UniChem		570	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