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BDBM50367931 CHEMBL1744404

SMILES: CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OC2CCCCO2)cc1)C(=O)NCC([O-])=O

InChI Key: InChIKey=HIBNPOZBMJEGLM-HWHAGSCESA-L

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50367931   
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))		BDBM50367931
PNG
(CHEMBL1744404)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OC2CCCCO2)cc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C24H38N3O9P/c1-4-16(3)22(27-37(32,33)35-5-2)24(31)26-19(23(30)25-15-20(28)29)14-17-9-11-18(12-10-17)36-21-8-6-7-13-34-21/h9-12,16,19,21-22H,4-8,13-15H2,1-3H3,(H,25,30)(H,26,31)(H,28,29)(H2,27,32,33)/p-2/t16-,19?,21?,22-/m0/s1
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Similars
PubMed
 2.50E+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