BDBM222266 (Z)-4-(2-((E)-4-(2-bromophenyl)-1-morpholino-2-oxobut-3-enylidene)hydrazinyl) benzenesulfonamide (4i)

SMILES: NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2Br)cc1

InChI Key: InChIKey=IXAXMBLJNOJYEA-RSJLAWTDSA-N

Data: 3 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 3 hits for monomerid = 222266   

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
5'-nucleotidase (Homo sapiens (Human))	BDBM222266 ((Z)-4-(2-((E)-4-(2-bromophenyl)-1-morpholino-2-oxo...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2Br)cc1 Show InChI InChI=1S/C20H21BrN4O4S/c21-18-4-2-1-3-15(18)5-10-19(26)20(25-11-13-29-14-12-25)24-23-16-6-8-17(9-7-16)30(22,27)28/h1-10,23H,11-14H2,(H2,22,27,28)/b10-5+,24-20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.92E+3	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
Intestinal alkaline phosphatase (IAP) (Bos taurus (Cattle))	BDBM222266 ((Z)-4-(2-((E)-4-(2-bromophenyl)-1-morpholino-2-oxo...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2Br)cc1 Show InChI InChI=1S/C20H21BrN4O4S/c21-18-4-2-1-3-15(18)5-10-19(26)20(25-11-13-29-14-12-25)24-23-16-6-8-17(9-7-16)30(22,27)28/h1-10,23H,11-14H2,(H2,22,27,28)/b10-5+,24-20-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	9.8	37
COMSATS Institute of Information Technology					Assay Description Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT) (Rattus norvegicus (Rat))	BDBM222266 ((Z)-4-(2-((E)-4-(2-bromophenyl)-1-morpholino-2-oxo...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2Br)cc1 Show InChI InChI=1S/C20H21BrN4O4S/c21-18-4-2-1-3-15(18)5-10-19(26)20(25-11-13-29-14-12-25)24-23-16-6-8-17(9-7-16)30(22,27)28/h1-10,23H,11-14H2,(H2,22,27,28)/b10-5+,24-20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair