BDBM50514710 CHEMBL4555677

SMILES: Brc1ccc2cc(sc2c1)C(=O)Nc1cccc2[nH]ccc12

InChI Key: InChIKey=REBSMDZUSJUELV-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50514710   

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
Deoxyhypusine synthase (Homo sapiens)	BDBM50514710 (CHEMBL4555677) Show SMILES Brc1ccc2cc(sc2c1)C(=O)Nc1cccc2[nH]ccc12 Show InChI InChI=1S/C17H11BrN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Competitive inhibition of human N-terminal His6-tagged TEV protease site linked DHPS expressed in Escherichia coli BL21 (DE3) assessed as reduction i...				J Med Chem 63: 3215-3226 (2020) Article DOI: 10.1021/acs.jmedchem.9b01979
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50514710 (CHEMBL4555677) Show SMILES Brc1ccc2cc(sc2c1)C(=O)Nc1cccc2[nH]ccc12 Show InChI InChI=1S/C17H11BrN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged TEV protease site linked DHPS expressed in Escherichia coli BL21 (DE3) assessed as reduction in radiolabel...				J Med Chem 63: 3215-3226 (2020) Article DOI: 10.1021/acs.jmedchem.9b01979
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50514710 (CHEMBL4555677) Show SMILES Brc1ccc2cc(sc2c1)C(=O)Nc1cccc2[nH]ccc12 Show InChI InChI=1S/C17H11BrN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Competitive inhibition of human N-terminal His6-tagged TEV protease site linked DHPS expressed in Escherichia coli BL21 (DE3) assessed as reduction i...				J Med Chem 63: 3215-3226 (2020) Article DOI: 10.1021/acs.jmedchem.9b01979
					More data for this Ligand-Target Pair