BDBM50395732 CHEMBL2164462

SMILES: Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1

InChI Key: InChIKey=MYECLQPAUDYVIW-UHFFFAOYSA-N

Data: 4 IC50

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 = 50395732   

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
Carboxypeptidase B2 isoform A (Homo sapiens (Human))	BDBM50395732 (CHEMBL2164462) Show SMILES Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1 Show InChI InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Showa Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...				J Med Chem 55: 7696-705 (2012) Article DOI: 10.1021/jm300735t BindingDB Entry DOI: 10.7270/Q2N58NHV
					More data for this Ligand-Target Pair
Carboxypeptidase B (Sus scrofa)	BDBM50395732 (CHEMBL2164462) Show SMILES Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1 Show InChI InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Showa Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...				J Med Chem 55: 7696-705 (2012) Article DOI: 10.1021/jm300735t BindingDB Entry DOI: 10.7270/Q2N58NHV
					More data for this Ligand-Target Pair
Carboxypeptidase B (Sus scrofa)	BDBM50395732 (CHEMBL2164462) Show SMILES Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1 Show InChI InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Showa Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...				J Med Chem 55: 7696-705 (2012) Article DOI: 10.1021/jm300735t BindingDB Entry DOI: 10.7270/Q2N58NHV
					More data for this Ligand-Target Pair
Carboxypeptidase B2 isoform A (Homo sapiens (Human))	BDBM50395732 (CHEMBL2164462) Show SMILES Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1 Show InChI InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Showa Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...				J Med Chem 55: 7696-705 (2012) Article DOI: 10.1021/jm300735t BindingDB Entry DOI: 10.7270/Q2N58NHV
					More data for this Ligand-Target Pair