BDBM50463107 CHEMBL4245882

SMILES: CCCc1cc(C(=O)OC)c(NC(=O)C2CCN(CC2)C(C)=O)s1

InChI Key: InChIKey=IHQFYSBFEDCARV-UHFFFAOYSA-N

Data: 1 KI  1 IC50  1 Kd

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 = 50463107   

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 repair protein REV1 (Homo sapiens)	BDBM50463107 (CHEMBL4245882) Show SMILES CCCc1cc(C(=O)OC)c(NC(=O)C2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C17H24N2O4S/c1-4-5-13-10-14(17(22)23-3)16(24-13)18-15(21)12-6-8-19(9-7-12)11(2)20/h10,12H,4-9H2,1-3H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...				Bioorg Med Chem 26: 4301-4309 (2018) Article DOI: 10.1016/j.bmc.2018.07.029 BindingDB Entry DOI: 10.7270/Q2K93B5H
					More data for this Ligand-Target Pair
DNA repair protein REV1 (Homo sapiens)	BDBM50463107 (CHEMBL4245882) Show SMILES CCCc1cc(C(=O)OC)c(NC(=O)C2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C17H24N2O4S/c1-4-5-13-10-14(17(22)23-3)16(24-13)18-15(21)12-6-8-19(9-7-12)11(2)20/h10,12H,4-9H2,1-3H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...				Bioorg Med Chem 26: 4301-4309 (2018) Article DOI: 10.1016/j.bmc.2018.07.029 BindingDB Entry DOI: 10.7270/Q2K93B5H
					More data for this Ligand-Target Pair
DNA repair protein REV1 (Homo sapiens)	BDBM50463107 (CHEMBL4245882) Show SMILES CCCc1cc(C(=O)OC)c(NC(=O)C2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C17H24N2O4S/c1-4-5-13-10-14(17(22)23-3)16(24-13)18-15(21)12-6-8-19(9-7-12)11(2)20/h10,12H,4-9H2,1-3H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...				Bioorg Med Chem 26: 4301-4309 (2018) Article DOI: 10.1016/j.bmc.2018.07.029 BindingDB Entry DOI: 10.7270/Q2K93B5H
					More data for this Ligand-Target Pair