BDBM50385263 CHEMBL2035289

SMILES: OB(O)CNC(=O)c1ccccc1Cl

InChI Key: InChIKey=LXIUYRUEMMFAQV-UHFFFAOYSA-N

Data: 1 KI  2 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 = 50385263   

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
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50385263 (CHEMBL2035289) Show SMILES OB(O)CNC(=O)c1ccccc1Cl Show InChI InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Binding affinity to Actinomadura sp. R39 PBP				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Penicillin-binding protein 2X (Streptococcus pneumoniae R6)	BDBM50385263 (CHEMBL2035289) Show SMILES OB(O)CNC(=O)c1ccccc1Cl Show InChI InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.62E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2x using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB...				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50385263 (CHEMBL2035289) Show SMILES OB(O)CNC(=O)c1ccccc1Cl Show InChI InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of Actinomadura sp. R39 PBP using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB-based spectrophotometry				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair				3D Structure (crystal)