BindingDB PrimarySearch

BDBM50092151 (10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE::4-Amino-N-[(S)-2-(R)-hydroxy-2-((S)-10-isopropyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-13-yl)-ethyl]-N-(3-methyl-butyl)-benzenesulfonamide::4-Amino-N-[2-hydroxy-2-(10-isopropyl-8,11-dioxo-2-oxa-9,12-diaza-bicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-13-yl)-ethyl]-N-(3-methyl-butyl)-benzenesulfonamide::CHEMBL442738

SMILES: CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=FBNSKSOTNMECSA-FLBADVGZSA-N

Data: 2 KI 4 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50092151
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50092151 ((10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENES...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 protease				J Med Chem 43: 3495-504 (2000) BindingDB Entry DOI: 10.7270/Q2KH0P1S
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50092151 ((10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENES...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Tested for inhibition of synthetic HIV-1 protease by using fluorometric assay				J Med Chem 47: 1641-51 (2004) Article DOI: 10.1021/jm030337m BindingDB Entry DOI: 10.7270/Q2JD4XJK
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50092151 ((10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENES...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of virion associated RT activity relative to untreated, infected control in PBMC cells infected with HIV-1 237288 strain				J Med Chem 43: 3495-504 (2000) BindingDB Entry DOI: 10.7270/Q2KH0P1S
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50092151 ((10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENES...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of virion associated RT activity relative to untreated, infected control in MT2 cells infected with HIV-1 237288 strain				J Med Chem 43: 3495-504 (2000) BindingDB Entry DOI: 10.7270/Q2KH0P1S
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50092151 ((10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENES...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of virion associated RT activity relative to untreated, infected control in cord blood mononuclear cells (CBMC) infected with HIV -1 TC354...				J Med Chem 43: 3495-504 (2000) BindingDB Entry DOI: 10.7270/Q2KH0P1S
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50092151 ((10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENES...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of virion associated RT activity relative to untreated, infected control in MT2 cells infected with HIV-2 strain (ROD)				J Med Chem 43: 3495-504 (2000) BindingDB Entry DOI: 10.7270/Q2KH0P1S
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)