BDBM577 (3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate::141W94::APV::Agenerase::Amprenavir::BDBM50215393::CHEMBL116::VX-478

SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=YMARZQAQMVYCKC-UHFFFAOYSA-N

Data: 51 KI  18 IC50  2 Kd  6 EC50  6 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 75 hits for monomerid = 577   

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 [489-587] (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.60	n/a	n/a	n/a	n/a	5.5	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Human)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) 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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.48E+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-binding cassette sub-family C member 3 (Human)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) 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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) 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
MDR1 (Human immunodeficiency virus)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	15.6	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
MDRC4 (Human immunodeficiency virus)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	17.5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
HIV WT-C pol protein (wild-type clade C) (Human immunodeficiency virus)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q] (Human immunodeficiency virus)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
HIV WT-A pol protein (wild-type clade A) (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-892] (Human immunodeficiency virus)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.589	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	13	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 [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	27	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) 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
Bile salt export pump (Human)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.48E+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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.50E+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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) 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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Human)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.81E+5	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	109	n/a	n/a	n/a	n/a	4.5	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.52E+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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) 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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.10	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.00700	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0300	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0360	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,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) 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
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0400	-14.2	150	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0400	-14.2	150	n/a	n/a	n/a	n/a	6.8	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0410	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0570	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] (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0570	-14.2	n/a	n/a	n/a	n/a	n/a	5.5	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0800	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.100	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 [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.100	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		<0.100	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.130	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.130	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 [491-589,Q498K,L501I,G539V,I545V,V555I,V573A] (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.150	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.160	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.170	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.170	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] (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.170	-13.9	n/a	n/a	n/a	n/a	n/a	4.7	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.170	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.180	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.195	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 [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.210	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)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) 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
Protease (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...) Show SMILES Show InChI	GoogleScholar	UniChem		0.359	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

Activity Spreadsheet -- ITC Data from BindingDB

Found 6 hits for monomerid = 577

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...)	GoogleScholar			-13.2	-6.30	-6.89	9.70	5	25
TBA					Details of this binding reaction
HIV-1 Protease Mutant, MDR-HM (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...)	GoogleScholar			-10.6	-12.2	1.60	7.76	5	25
TBA					Details of this binding reaction
HIV-1 Protease Mutant, MDR-QM (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...)	GoogleScholar			-11.6	-11.1	-0.499	8.51	5	25
TBA					Details of this binding reaction
HIV-1 Protease Mutant (V82A/I84V) (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...)	GoogleScholar			-12.2	-6.59	-5.59	8.96	5	25
TBA					Details of this binding reaction
HIV-1 Protease Mutant (M46I/I54V) (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...)	GoogleScholar			-12.8	-9.29	-3.49	9.38	5	25
TBA					Details of this binding reaction
HIV-1 Protease Mutant (L10I/L90M) (Human immunodeficiency virus type 1)	BDBM577 (VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...)	GoogleScholar			-12.4	-7.19	-5.19	9.11	5	25
TBA					Details of this binding reaction