BDBM50102723 4-(2-Hydroxymethyl-pyrimidin-4-yl)-piperazine-1-sulfonic acid dimethylamide::4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE::CHEMBL90488::CP-166572

SMILES: CN(C)S(=O)(=O)N1CCN(CC1)c1ccnc(CO)n1

InChI Key: InChIKey=XDTHNROWHAAVPJ-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 = 50102723   

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
Sorbitol dehydrogenase (Homo sapiens (Human))	BDBM50102723 (4-(2-Hydroxymethyl-pyrimidin-4-yl)-piperazine-1-su...) Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1ccnc(CO)n1 Show InChI InChI=1S/C11H19N5O3S/c1-14(2)20(18,19)16-7-5-15(6-8-16)11-3-4-12-10(9-17)13-11/h3-4,17H,5-9H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Concentration required for inhibitory activity against human sorbitol dehydrogenase (SDH)				Bioorg Med Chem Lett 11: 3133-6 (2001) BindingDB Entry DOI: 10.7270/Q22N51M5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sorbitol dehydrogenase (Homo sapiens (Human))	BDBM50102723 (4-(2-Hydroxymethyl-pyrimidin-4-yl)-piperazine-1-su...) Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1ccnc(CO)n1 Show InChI InChI=1S/C11H19N5O3S/c1-14(2)20(18,19)16-7-5-15(6-8-16)11-3-4-12-10(9-17)13-11/h3-4,17H,5-9H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against human SDH				J Med Chem 44: 2695-700 (2001) BindingDB Entry DOI: 10.7270/Q21G0KJZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sorbitol dehydrogenase (Homo sapiens (Human))	BDBM50102723 (4-(2-Hydroxymethyl-pyrimidin-4-yl)-piperazine-1-su...) Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1ccnc(CO)n1 Show InChI InChI=1S/C11H19N5O3S/c1-14(2)20(18,19)16-7-5-15(6-8-16)11-3-4-12-10(9-17)13-11/h3-4,17H,5-9H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)				J Med Chem 45: 511-28 (2002) BindingDB Entry DOI: 10.7270/Q2R210QX
					More data for this Ligand-Target Pair				3D Structure (crystal)