BDBM50329615 CHEMBL1270139::N-hydroxy-2-((3aR,6aS)-5-(naphthalen-2-ylmethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)pyrimidine-5-carboxamide

SMILES: ONC(=O)c1cnc(nc1)N1C[C@@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]2C1

InChI Key: InChIKey=KPGKJQJLWZJYMJ-BGYRXZFFSA-N

Data: 2 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 2 hits for monomerid = 50329615   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50329615 (CHEMBL1270139 | N-hydroxy-2-((3aR,6aS)-5-(naphthal...) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C22H23N5O2/c28-21(25-29)18-8-23-22(24-9-18)27-13-19-11-26(12-20(19)14-27)10-15-5-6-16-3-1-2-4-17(16)7-15/h1-9,19-20,29H,10-14H2,(H,25,28)/t19-,20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Curated by ChEMBL					Assay Description Inhibition of human ERG channel				Bioorg Med Chem Lett 20: 6657-60 (2010) Article DOI: 10.1016/j.bmcl.2010.09.016 BindingDB Entry DOI: 10.7270/Q2QJ7HH7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50329615 (CHEMBL1270139 | N-hydroxy-2-((3aR,6aS)-5-(naphthal...) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C22H23N5O2/c28-21(25-29)18-8-23-22(24-9-18)27-13-19-11-26(12-20(19)14-27)10-15-5-6-16-3-1-2-4-17(16)7-15/h1-9,19-20,29H,10-14H2,(H,25,28)/t19-,20+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Curated by ChEMBL					Assay Description Inhibition of CYP2D6 at 50 uM				Bioorg Med Chem Lett 20: 6657-60 (2010) Article DOI: 10.1016/j.bmcl.2010.09.016 BindingDB Entry DOI: 10.7270/Q2QJ7HH7
					More data for this Ligand-Target Pair