BDBM32391 iso-butyl-substituted sulfonamide, 9b

SMILES: CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=BMXYVKCLBAGXOY-UHFFFAOYSA-N

Data: 4 KI  2 IC50

PDB links: 2 PDB IDs match 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 6 hits for monomerid = 32391   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM32391 (iso-butyl-substituted sulfonamide, 9b) Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB Article PubMed	900	-8.19	n/a	n/a	n/a	n/a	n/a	5.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM32391 (iso-butyl-substituted sulfonamide, 9b) Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.80E+3	-7.25	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM32391 (iso-butyl-substituted sulfonamide, 9b) Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	6.80E+3	-7.00	n/a	n/a	n/a	n/a	n/a	4.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Plasmepsin IV (Plasmodium falciparum)	BDBM32391 (iso-butyl-substituted sulfonamide, 9b) Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.60E+4	-5.80	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
beta-Secretase (BACE-1) (Homo sapiens (Human))	BDBM32391 (iso-butyl-substituted sulfonamide, 9b) Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM32391 (iso-butyl-substituted sulfonamide, 9b) Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair