BindingDB logo
myBDB logout

BDBM50367936 CHEMBL1744415

SMILES: CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(Cc1ccccc1)C([O-])=O

InChI Key: InChIKey=GBFZPAXVKZKGHP-CRJBMMSJSA-L

Data: 1 KI

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 1 hit for monomerid = 50367936   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367936
PNG
(CHEMBL1744415)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(Cc1ccccc1)C([O-])=O |r|
Show InChI InChI=1S/C33H42N3O8P/c1-4-23(3)30(36-45(41,42)44-5-2)32(38)34-28(31(37)35-29(33(39)40)21-24-12-8-6-9-13-24)20-25-16-18-27(19-17-25)43-22-26-14-10-7-11-15-26/h6-19,23,28-30H,4-5,20-22H2,1-3H3,(H,34,38)(H,35,37)(H,39,40)(H2,36,41,42)/p-2/t23-,28?,29?,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.20E+5n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair