BindingDB logo
myBDB logout

BDBM50367923 CHEMBL1744406

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

InChI Key: InChIKey=YGOUSCSMWSIYOF-BHPDKXSNSA-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 = 50367923   
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))		BDBM50367923
PNG
(CHEMBL1744406)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCC(O)=O)cc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C21H32N3O10P/c1-4-13(3)19(24-35(31,32)34-5-2)21(30)23-16(20(29)22-11-17(25)26)10-14-6-8-15(9-7-14)33-12-18(27)28/h6-9,13,16,19H,4-5,10-12H2,1-3H3,(H,22,29)(H,23,30)(H,25,26)(H,27,28)(H2,24,31,32)/p-2/t13-,16?,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 3.20E+4n/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