null

SMILES: CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)S(=O)(=O)c1ccc(OC)cc1

InChI Key: InChIKey=JJONTVSMJKRGJO-WDJPJFJCSA-N

PDB links: 1 PDB ID matches this monomer.

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 = 50485764   

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))	BDBM50485764 (CHEMBL2165912) Show SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C27H37Cl2N3O7S/c1-4-19(2)17-32(40(36,37)22-12-10-21(38-3)11-13-22)18-24(33)23(16-20-8-6-5-7-9-20)31-27(35)39-15-14-30-26(34)25(28)29/h5-13,19,23-25,33H,4,14-18H2,1-3H3,(H,30,34)(H,31,35)/t19-,23-,24+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.00300	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)	BDBM50485764 (CHEMBL2165912) Show SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C27H37Cl2N3O7S/c1-4-19(2)17-32(40(36,37)22-12-10-21(38-3)11-13-22)18-24(33)23(16-20-8-6-5-7-9-20)31-27(35)39-15-14-30-26(34)25(28)29/h5-13,19,23-25,33H,4,14-18H2,1-3H3,(H,30,34)(H,31,35)/t19-,23-,24+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.0440	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
HIV-1 protease (Human immunodeficiency virus)	BDBM50485764 (CHEMBL2165912) Show SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C27H37Cl2N3O7S/c1-4-19(2)17-32(40(36,37)22-12-10-21(38-3)11-13-22)18-24(33)23(16-20-8-6-5-7-9-20)31-27(35)39-15-14-30-26(34)25(28)29/h5-13,19,23-25,33H,4,14-18H2,1-3H3,(H,30,34)(H,31,35)/t19-,23-,24+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.400	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)	BDBM50485764 (CHEMBL2165912) Show SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C27H37Cl2N3O7S/c1-4-19(2)17-32(40(36,37)22-12-10-21(38-3)11-13-22)18-24(33)23(16-20-8-6-5-7-9-20)31-27(35)39-15-14-30-26(34)25(28)29/h5-13,19,23-25,33H,4,14-18H2,1-3H3,(H,30,34)(H,31,35)/t19-,23-,24+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.563	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