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SMILES: CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CCN1C(=O)c2ccccc2C1=O)P(O)(O)=O

InChI Key: InChIKey=UUWBLGDAFQCIKB-RJGXRXQPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50283779   
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))
BDBM50283779
PNG
(CHEMBL96018 | {(R)-3-(1,3-Dioxo-1,3-dihydro-isoind...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CCN1C(=O)c2ccccc2C1=O)P(O)(O)=O
Show InChI InChI=1S/C27H35N4O7P/c1-17(2)15-21(25(33)30-22(24(32)28-3)16-18-9-5-4-6-10-18)29-23(39(36,37)38)13-14-31-26(34)19-11-7-8-12-20(19)27(31)35/h4-12,17,21-23,29H,13-16H2,1-3H3,(H,28,32)(H,30,33)(H2,36,37,38)/t21-,22-,23+/m0/s1
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Article
n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


Bioorg Med Chem Lett 4: 2833-2836 (1994)


Article DOI: 10.1016/S0960-894X(01)80823-4
BindingDB Entry DOI: 10.7270/Q2HH6K16
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50283779
PNG
(CHEMBL96018 | {(R)-3-(1,3-Dioxo-1,3-dihydro-isoind...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CCN1C(=O)c2ccccc2C1=O)P(O)(O)=O
Show InChI InChI=1S/C27H35N4O7P/c1-17(2)15-21(25(33)30-22(24(32)28-3)16-18-9-5-4-6-10-18)29-23(39(36,37)38)13-14-31-26(34)19-11-7-8-12-20(19)27(31)35/h4-12,17,21-23,29H,13-16H2,1-3H3,(H,28,32)(H,30,33)(H2,36,37,38)/t21-,22-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/a 360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


Bioorg Med Chem Lett 4: 2833-2836 (1994)


Article DOI: 10.1016/S0960-894X(01)80823-4
BindingDB Entry DOI: 10.7270/Q2HH6K16
More data for this
Ligand-Target Pair