BDBM50158910 CHEMBL3786406

SMILES: CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1

InChI Key: InChIKey=NKUTZMBFZKWADP-UHFFFAOYSA-N

Data: 2 Kd

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 2 hits for monomerid = 50158910   

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
Peregrin (Homo sapiens (Human))	BDBM50158910 (CHEMBL3786406) Show SMILES CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 Show InChI InChI=1S/C19H25N3O5S/c1-6-22(7-2)28(26,27)14-8-9-16(24)15(10-14)21-19(25)18-11(3)17(13(5)23)12(4)20-18/h8-10,20,24H,6-7H2,1-5H3,(H,21,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universit£t Freiburg Curated by ChEMBL					Assay Description Binding affinity to partial length human BRPF1 by isothermal titration calorimetry				J Med Chem 59: 1518-30 (2016) BindingDB Entry DOI: 10.7270/Q27H1MHH
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50158910 (CHEMBL3786406) Show SMILES CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 Show InChI InChI=1S/C19H25N3O5S/c1-6-22(7-2)28(26,27)14-8-9-16(24)15(10-14)21-19(25)18-11(3)17(13(5)23)12(4)20-18/h8-10,20,24H,6-7H2,1-5H3,(H,21,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universit£t Freiburg Curated by ChEMBL					Assay Description Binding affinity to partial length human BRD4 bromodomain 1 by isothermal titration calorimetry				J Med Chem 59: 1518-30 (2016) BindingDB Entry DOI: 10.7270/Q27H1MHH
					More data for this Ligand-Target Pair				3D Structure (crystal)