BDBM50164665 CHEMBL3797675

SMILES: CCOC(=O)CNC(=O)NCc1ccccc1

InChI Key: InChIKey=JOGHOEBNQXZSDF-UHFFFAOYSA-N

Data: 1 KI  1 Kd

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 2 hits for monomerid = 50164665   

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
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164665 (CHEMBL3797675) Show SMILES CCOC(=O)CNC(=O)NCc1ccccc1 Show InChI InChI=1S/C12H16N2O3/c1-2-17-11(15)9-14-12(16)13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,13,14,16)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) BindingDB Entry DOI: 10.7270/Q2474CR6
					More data for this Ligand-Target Pair
Cyclophilin D (CypD) (Homo sapiens (Human))	BDBM50164665 (CHEMBL3797675) Show SMILES CCOC(=O)CNC(=O)NCc1ccccc1 Show InChI InChI=1S/C12H16N2O3/c1-2-17-11(15)9-14-12(16)13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,13,14,16)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	9.73E+4	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Binding affinity to Cyclophilin D (unknown origin) by isothermal titration calorimetry				J Med Chem 59: 2596-611 (2016) BindingDB Entry DOI: 10.7270/Q2474CR6
					More data for this Ligand-Target Pair