BDBM50463114 CHEMBL4241371

SMILES: CCCC1CCc2c(C1)sc(NC(=O)C1CCN(CC1)C(C)=O)c2C(N)=O

InChI Key: InChIKey=FXNYZYYGJQZLKQ-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 = 50463114   

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)	BDBM50463114 (CHEMBL4241371) Show SMILES CCCC1CCc2c(C1)sc(NC(=O)C1CCN(CC1)C(C)=O)c2C(N)=O Show InChI InChI=1S/C20H29N3O3S/c1-3-4-13-5-6-15-16(11-13)27-20(17(15)18(21)25)22-19(26)14-7-9-23(10-8-14)12(2)24/h13-14H,3-11H2,1-2H3,(H2,21,25)(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.19E+4	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)	BDBM50463114 (CHEMBL4241371) Show SMILES CCCC1CCc2c(C1)sc(NC(=O)C1CCN(CC1)C(C)=O)c2C(N)=O Show InChI InChI=1S/C20H29N3O3S/c1-3-4-13-5-6-15-16(11-13)27-20(17(15)18(21)25)22-19(26)14-7-9-23(10-8-14)12(2)24/h13-14H,3-11H2,1-2H3,(H2,21,25)(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.50E+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)	BDBM50463114 (CHEMBL4241371) Show SMILES CCCC1CCc2c(C1)sc(NC(=O)C1CCN(CC1)C(C)=O)c2C(N)=O Show InChI InChI=1S/C20H29N3O3S/c1-3-4-13-5-6-15-16(11-13)27-20(17(15)18(21)25)22-19(26)14-7-9-23(10-8-14)12(2)24/h13-14H,3-11H2,1-2H3,(H2,21,25)(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+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