BDBM50324487 CHEMBL1215295::N-(1-Amino-4-methyl-1-oxopentan-2-yl)-5-(3-hydroxyphenyl)-thiophene-2-carboxamide

SMILES: CC(C)CC(NC(=O)c1ccc(s1)-c1cccc(O)c1)C(N)=O

InChI Key: InChIKey=PRKOCIJELXKDMC-UHFFFAOYSA-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 = 50324487   

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
Prostaglandin D Synthase (Homo sapiens (Human))	BDBM50324487 (CHEMBL1215295 | N-(1-Amino-4-methyl-1-oxopentan-2-...) Show SMILES CC(C)CC(NC(=O)c1ccc(s1)-c1cccc(O)c1)C(N)=O Show InChI InChI=1S/C17H20N2O3S/c1-10(2)8-13(16(18)21)19-17(22)15-7-6-14(23-15)11-4-3-5-12(20)9-11/h3-7,9-10,13,20H,8H2,1-2H3,(H2,18,21)(H,19,22)	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	6.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair
Prostaglandin D Synthase (Homo sapiens (Human))	BDBM50324487 (CHEMBL1215295 | N-(1-Amino-4-methyl-1-oxopentan-2-...) Show SMILES CC(C)CC(NC(=O)c1ccc(s1)-c1cccc(O)c1)C(N)=O Show InChI InChI=1S/C17H20N2O3S/c1-10(2)8-13(16(18)21)19-17(22)15-7-6-14(23-15)11-4-3-5-12(20)9-11/h3-7,9-10,13,20H,8H2,1-2H3,(H2,18,21)(H,19,22)	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	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair