BDBM50485743 CHEMBL2165919

SMILES: CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1

InChI Key: InChIKey=RBHWMZGUSZDYML-LHVUSNKQSA-N

Data: 4 KI

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 4 hits for monomerid = 50485743   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485743 (CHEMBL2165919) Show SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C28H39N3O7S/c1-4-20(2)17-31(39(35,36)24-13-11-23(37-3)12-14-24)18-26(32)25(16-21-8-6-5-7-9-21)30-28(34)38-19-22-10-15-27(33)29-22/h5-9,11-14,20,22,25-26,32H,4,10,15-19H2,1-3H3,(H,29,33)(H,30,34)/t20-,22-,25-,26+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease by FRET assay				J Med Chem 55: 6328-41 (2012) Article DOI: 10.1021/jm300238h BindingDB Entry DOI: 10.7270/Q28G8PKV
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50485743 (CHEMBL2165919) Show SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C28H39N3O7S/c1-4-20(2)17-31(39(35,36)24-13-11-23(37-3)12-14-24)18-26(32)25(16-21-8-6-5-7-9-21)30-28(34)38-19-22-10-15-27(33)29-22/h5-9,11-14,20,22,25-26,32H,4,10,15-19H2,1-3H3,(H,29,33)(H,30,34)/t20-,22-,25-,26+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.284	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease L10I, G48V, I54V, L63P and V82A mutant by FRET assay				J Med Chem 55: 6328-41 (2012) Article DOI: 10.1021/jm300238h BindingDB Entry DOI: 10.7270/Q28G8PKV
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50485743 (CHEMBL2165919) Show SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C28H39N3O7S/c1-4-20(2)17-31(39(35,36)24-13-11-23(37-3)12-14-24)18-26(32)25(16-21-8-6-5-7-9-21)30-28(34)38-19-22-10-15-27(33)29-22/h5-9,11-14,20,22,25-26,32H,4,10,15-19H2,1-3H3,(H,29,33)(H,30,34)/t20-,22-,25-,26+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease L10I, L63P, A71V, G73S, I84V, L90M mutant by FRET assay				J Med Chem 55: 6328-41 (2012) Article DOI: 10.1021/jm300238h BindingDB Entry DOI: 10.7270/Q28G8PKV
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50485743 (CHEMBL2165919) Show SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C28H39N3O7S/c1-4-20(2)17-31(39(35,36)24-13-11-23(37-3)12-14-24)18-26(32)25(16-21-8-6-5-7-9-21)30-28(34)38-19-22-10-15-27(33)29-22/h5-9,11-14,20,22,25-26,32H,4,10,15-19H2,1-3H3,(H,29,33)(H,30,34)/t20-,22-,25-,26+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease I50V, A71V mutant by FRET assay				J Med Chem 55: 6328-41 (2012) Article DOI: 10.1021/jm300238h BindingDB Entry DOI: 10.7270/Q28G8PKV
					More data for this Ligand-Target Pair