BDBM50096618 CHEMBL3577276

SMILES: NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O

InChI Key: InChIKey=KEZZRXCUUBOYRH-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50096618   

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
DNA polymerase III subunit beta (Escherichia coli (strain K12))	BDBM50096618 (CHEMBL3577276) Show SMILES NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O |r| Show InChI InChI=1S/C16H10O7/c1-21-13-5-12-7(3-10(13)19)15-14(16(20)23-12)6-2-8(17)9(18)4-11(6)22-15/h2-5,17-19H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.37E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Wollongong and The Illawarra Health and Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay				J Med Chem 58: 4693-702 (2015) Article DOI: 10.1021/acs.jmedchem.5b00232 BindingDB Entry DOI: 10.7270/Q2KK9DJ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA polymerase III subunit beta (Escherichia coli (strain K12))	BDBM50096618 (CHEMBL3577276) Show SMILES NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O |r| Show InChI InChI=1S/C16H10O7/c1-21-13-5-12-7(3-10(13)19)15-14(16(20)23-12)6-2-8(17)9(18)4-11(6)22-15/h2-5,17-19H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.46E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Wollongong and The Illawarra Health and Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay				J Med Chem 58: 4693-702 (2015) Article DOI: 10.1021/acs.jmedchem.5b00232 BindingDB Entry DOI: 10.7270/Q2KK9DJ9
					More data for this Ligand-Target Pair				3D Structure (crystal)