BDBM50497273 CHEMBL3347583

SMILES: [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1S(C)(=O)=O)c1c(Br)cccc21

InChI Key: InChIKey=CPSMRACROQFVFP-ZOBUZTSGSA-N

Data: 4 IC50

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 = 50497273   

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
Cytochrome b-245 heavy chain (Homo sapiens (Human))	BDBM50497273 (CHEMBL3347583) Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1S(C)(=O)=O)c1c(Br)cccc21 |r,TLB:9:8:3.2:24.18,19:18:3.2:13.8,THB:14:13:3.2:24.18| Show InChI InChI=1S/C18H24BrNO2S/c1-11(2)9-14-17-16-12(7-6-8-13(16)19)15(10-18(17,3)4)20(14)23(5,21)22/h6-8,14-15,17H,1,9-10H2,2-5H3/t14-,15-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...				Medchemcomm 4: 1085-1092 (2013) Article DOI: 10.1039/c3md00061c BindingDB Entry DOI: 10.7270/Q2J38WJK
					More data for this Ligand-Target Pair
Cytochrome b-245 heavy chain (Homo sapiens (Human))	BDBM50497273 (CHEMBL3347583) Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1S(C)(=O)=O)c1c(Br)cccc21 |r,TLB:9:8:3.2:24.18,19:18:3.2:13.8,THB:14:13:3.2:24.18| Show InChI InChI=1S/C18H24BrNO2S/c1-11(2)9-14-17-16-12(7-6-8-13(16)19)15(10-18(17,3)4)20(14)23(5,21)22/h6-8,14-15,17H,1,9-10H2,2-5H3/t14-,15-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...				Medchemcomm 4: 1085-1092 (2013) Article DOI: 10.1039/c3md00061c BindingDB Entry DOI: 10.7270/Q2J38WJK
					More data for this Ligand-Target Pair
NADPH oxidase 4 (Homo sapiens (Human))	BDBM50497273 (CHEMBL3347583) Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1S(C)(=O)=O)c1c(Br)cccc21 |r,TLB:9:8:3.2:24.18,19:18:3.2:13.8,THB:14:13:3.2:24.18| Show InChI InChI=1S/C18H24BrNO2S/c1-11(2)9-14-17-16-12(7-6-8-13(16)19)15(10-18(17,3)4)20(14)23(5,21)22/h6-8,14-15,17H,1,9-10H2,2-5H3/t14-,15-,17-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of full length human NOX4 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...				Medchemcomm 4: 1085-1092 (2013) Article DOI: 10.1039/c3md00061c BindingDB Entry DOI: 10.7270/Q2J38WJK
					More data for this Ligand-Target Pair
NADPH oxidase 5 (Homo sapiens (Human))	BDBM50497273 (CHEMBL3347583) Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1S(C)(=O)=O)c1c(Br)cccc21 |r,TLB:9:8:3.2:24.18,19:18:3.2:13.8,THB:14:13:3.2:24.18| Show InChI InChI=1S/C18H24BrNO2S/c1-11(2)9-14-17-16-12(7-6-8-13(16)19)15(10-18(17,3)4)20(14)23(5,21)22/h6-8,14-15,17H,1,9-10H2,2-5H3/t14-,15-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of full length human NOX5 transfected in HEK cells assessed as inhibition of ionomycin-stimulated ROS generation by chemiluminescence assa...				Medchemcomm 4: 1085-1092 (2013) Article DOI: 10.1039/c3md00061c BindingDB Entry DOI: 10.7270/Q2J38WJK
					More data for this Ligand-Target Pair