BDBM580 (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide::AG1776::BDBM50288366::JE-2147::KNI-764

SMILES: Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C

InChI Key: InChIKey=CUFQBQOBLVLKRF-UHFFFAOYSA-N

Data: 20 KI  1 IC50  1 EC50  12 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 22 hits for monomerid = 580   

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
Plasmepsin II (Plasmodium falciparum)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
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Protease (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0210	-15.1	n/a	n/a	n/a	n/a	n/a	4.7	37
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					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0210	-15.1	n/a	n/a	n/a	n/a	n/a	4.7	37
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					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,D531N,A572V] (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		<0.0210	<-15.1	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,A572V] (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		<0.0210	<-15.1	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,A572V] (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0300	-14.9	n/a	n/a	n/a	n/a	n/a	4.7	37
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					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0310	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)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0350	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,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0400	-14.7	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,Q508K,L534I,L564I,C568A,C596A,D531N] (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0830	-14.3	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 [501-599,M537I] (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.110	-14.1	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,M537I] (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.110	-14.1	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,I543V,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.190	-13.8	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,D531N,M537I,A572V] (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.320	-13.5	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)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.330	-13.4	n/a	n/a	n/a	n/a	n/a	6.0	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.330	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)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.5	-13.2	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)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		0.550	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,I573V,L579M] (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		2.20	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
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,M535I,I543V,L552P,A560V,V571A,I573V,L579M] (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		5.60	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,I573V,L579M] (Human immunodeficiency virus type 1)	BDBM580 (AG1776 | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2...) Show SMILES Show InChI	GoogleScholar	UniChem		9.40	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