BDBM50164669 CHEMBL3798305

SMILES: CCOC(=O)[C@H](CCSC)NC(=O)NCc1ccc(N)cc1

InChI Key: InChIKey=KLKMGXVYFUKFBN-ZDUSSCGKSA-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 = 50164669   

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))	BDBM50164669 (CHEMBL3798305) Show SMILES CCOC(=O)[C@H](CCSC)NC(=O)NCc1ccc(N)cc1 |r| Show InChI InChI=1S/C15H23N3O3S/c1-3-21-14(19)13(8-9-22-2)18-15(20)17-10-11-4-6-12(16)7-5-11/h4-7,13H,3,8-10,16H2,1-2H3,(H2,17,18,20)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	9.10E+3	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
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164669 (CHEMBL3798305) Show SMILES CCOC(=O)[C@H](CCSC)NC(=O)NCc1ccc(N)cc1 |r| Show InChI InChI=1S/C15H23N3O3S/c1-3-21-14(19)13(8-9-22-2)18-15(20)17-10-11-4-6-12(16)7-5-11/h4-7,13H,3,8-10,16H2,1-2H3,(H2,17,18,20)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	5.12E+3	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