BDBM519 (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide::CHEMBL114::Fortovase::Invirase::Ro 31-8959::SQV::Saquinavir

SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1

InChI Key: InChIKey=QWAXKHKRTORLEM-UHFFFAOYSA-N

Data: 35 KI  33 IC50  2 Kd  1 K_off  1 K_on  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 70 hits for monomerid = 519   

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
ATP-dependent translocase ABCB1 (Human)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20E+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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	45	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.92E+3	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.200	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.80	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	270	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<0.400	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<0.400	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	n/a	0.000227	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+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 (Mouse)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	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] (Human immunodeficiency virus type 1)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Mouse)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.50E+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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20E+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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.310	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.400	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (malaria parasite P. falciparum)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (malaria parasite P. falciparum)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.30E+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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.400	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.95E+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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.50E+3	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.230	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	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] (Human immunodeficiency virus type 1)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.40	n/a	n/a	n/a	n/a	5.5	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.230	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag polyprotein (HIV-1)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	13.1	n/a	n/a	n/a	n/a	6.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.230	n/a	n/a	n/a	n/a	5.5	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	16	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,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0400	-14.2	n/a	n/a	n/a	n/a	n/a	6.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0620	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) 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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		0.120	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		0.120	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		0.120	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		0.150	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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		0.190	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		0.230	n/a	n/a	0.315	n/a	n/a	8.17E+5	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		0.230	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		0.25	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		0.25	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		0.25	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 [482-580,I502K,I528M,T553A,V564F] (Human immunodeficiency virus type 1)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		0.430	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)	BDBM519 (SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...) Show SMILES Show InChI	GoogleScholar	UniChem		0.452	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