BDBM50121929 (phenylmethyl)butanedioic acid::2-benzylbutanedioic acid::2-benzylsuccinic acid::CHEMBL151284::alpha-benzylsuccinic acid::benzylsuccinic acid::beta-carboxybenzenebutanoic acid

SMILES: OC(=O)CC(Cc1ccccc1)C(O)=O

InChI Key: InChIKey=GTOFKXZQQDSVFH-UHFFFAOYSA-N

Data: 4 KI  3 IC50

PDB links: 5 PDB IDs match 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 7 hits for monomerid = 50121929   

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
Mast cell carboxypeptidase A (Homo sapiens (Human))	BDBM50121929 ((phenylmethyl)butanedioic acid | 2-benzylbutanedio...) Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of Carboxypeptidase A				J Med Chem 45: 5609-16 (2002) BindingDB Entry DOI: 10.7270/Q270825W
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50121929 ((phenylmethyl)butanedioic acid | 2-benzylbutanedio...) Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of bovine carboxypeptidase A1				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thrombin-activatable fibrinolysis (TAFI) (Homo sapiens (Human))	BDBM50121929 ((phenylmethyl)butanedioic acid | 2-benzylbutanedio...) Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM50121929 ((phenylmethyl)butanedioic acid | 2-benzylbutanedio...) Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase M (Homo sapiens (Human))	BDBM50121929 ((phenylmethyl)butanedioic acid | 2-benzylbutanedio...) Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma				J Med Chem 46: 5294-7 (2003) Article DOI: 10.1021/jm034141y BindingDB Entry DOI: 10.7270/Q27H1J0Z
					More data for this Ligand-Target Pair
Carboxypeptidase B2 isoform A (Homo sapiens (Human))	BDBM50121929 ((phenylmethyl)butanedioic acid | 2-benzylbutanedio...) Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma				J Med Chem 46: 5294-7 (2003) Article DOI: 10.1021/jm034141y BindingDB Entry DOI: 10.7270/Q27H1J0Z
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50121929 ((phenylmethyl)butanedioic acid | 2-benzylbutanedio...) Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Carboxypeptidase A (CPA) was determined by clot lysis assay using human plasma				J Med Chem 46: 5294-7 (2003) Article DOI: 10.1021/jm034141y BindingDB Entry DOI: 10.7270/Q27H1J0Z
					More data for this Ligand-Target Pair