BDBM50213021 CHEBI:63621::Fortovase::Invirase::Ro-31-8959::Ro-318959000::Saquinavir::US10806794, Compound Saquinavir

SMILES: [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C

InChI Key: InChIKey=QWAXKHKRTORLEM-UHFFFAOYSA-N

Data: 13 KI  15 IC50  4 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 32 hits for monomerid = 50213021   

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
Protease (Human immunodeficiency virus type 1)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.637	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Bile salt export pump (Human)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.90E+3	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) 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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
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Broad substrate specificity ATP-binding cassette transporter ABCG2 (Human)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) 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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) 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
Bile salt export pump (Human)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.90E+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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Human)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Solute carrier family 22 member 1 (Rat)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.26E+3	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	4.10	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.577	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.0500	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 4 (Human)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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ATP-binding cassette sub-family C member 2 (Human)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) 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
Bile salt export pump (Human)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.90E+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-binding cassette sub-family C member 3 (Human)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0400	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) 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
Protease (Human immunodeficiency virus type 1)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.138	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.200	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.220	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.420	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.510	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.650	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		1.40	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		9	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		12	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		13	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)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		71	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