BDBM50431467 CHEMBL2348305

SMILES: N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1

InChI Key: InChIKey=NKOSKXJRVWVXRI-JTQLQIEISA-N

Data: 4 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 4 hits for monomerid = 50431467   

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
Proliferating cell nuclear antigen (Homo sapiens (Human))	BDBM50431467 (CHEMBL2348305) Show SMILES N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r| Show InChI InChI=1S/C15H15I2NO3/c16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h1-4,6-7,10,19-20H,5,8,18H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Health Center Curated by ChEMBL					Assay Description Binding affinity to monoubiquitinated PCNA derived from human GM04312 cells assessed as inhibition of interaction with His8-tagged DNA polymerase eta...				J Med Chem 59: 9321-9336 (2016) BindingDB Entry DOI: 10.7270/Q2ZC84TJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA ligase 1 (Homo sapiens (Human))	BDBM50431467 (CHEMBL2348305) Show SMILES N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r| Show InChI InChI=1S/C15H15I2NO3/c16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h1-4,6-7,10,19-20H,5,8,18H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Allahabad Curated by ChEMBL					Assay Description Inhibition of human DNA ligase 1				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111657
					More data for this Ligand-Target Pair
Proliferating cell nuclear antigen (Homo sapiens (Human))	BDBM50431467 (CHEMBL2348305) Show SMILES N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r| Show InChI InChI=1S/C15H15I2NO3/c16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h1-4,6-7,10,19-20H,5,8,18H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...				Bioorg Med Chem 21: 1972-7 (2013) Article DOI: 10.1016/j.bmc.2013.01.022 BindingDB Entry DOI: 10.7270/Q2JQ12CZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proliferating cell nuclear antigen (Homo sapiens (Human))	BDBM50431467 (CHEMBL2348305) Show SMILES N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r| Show InChI InChI=1S/C15H15I2NO3/c16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h1-4,6-7,10,19-20H,5,8,18H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Health Center Curated by ChEMBL					Assay Description Binding affinity to full length human PCNA expressed in Escherichia coli BL21(DE3) assessed as inhibition of interaction with N-terminal 5-carboxyflu...				J Med Chem 59: 9321-9336 (2016) BindingDB Entry DOI: 10.7270/Q2ZC84TJ
					More data for this Ligand-Target Pair				3D Structure (crystal)