BDBM50096605 CHEMBL3577289

SMILES: OC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O

InChI Key: InChIKey=VVKCJZLVMZAHBK-DNVCBOLYSA-N

Data: 1 KI  1 IC50  1 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 3 hits for monomerid = 50096605   

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))	BDBM50096605 (CHEMBL3577289) Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O |r| Show InChI InChI=1S/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.70E+4	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))	BDBM50096605 (CHEMBL3577289) Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O |r| Show InChI InChI=1S/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.30E+4	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 Binding affinity to Escherichia coli DNA sliding clamp protein at 298K by isothermal titration calorimetry				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))	BDBM50096605 (CHEMBL3577289) Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O |r| Show InChI InChI=1S/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.00E+4	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)