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BDBM50107577 (R)-2-(2'-Chloro-biphenyl-4-ylmethyl)-N*4*-hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-yl)-succinamide::CHEMBL268882

SMILES: ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1Cl)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=TZHSKYKMJBHKLJ-NIDLKEISSA-N

Data: 3 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 3 hits for monomerid = 50107577   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50107577
PNG
((R)-2-(2'-Chloro-biphenyl-4-ylmethyl)-N*4*-hydroxy...)
Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1Cl)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C26H25ClN2O4/c27-22-8-4-3-6-20(22)17-11-9-16(10-12-17)13-19(15-24(31)29-33)26(32)28-25-21-7-2-1-5-18(21)14-23(25)30/h1-12,19,23,25,30,33H,13-15H2,(H,28,32)(H,29,31)/t19-,23-,25+/m1/s1
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PC sid
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PubMed
27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharma Company

Curated by ChEMBL


Assay Description
Binding affinity for human gelatinase A (MMP-2)


Bioorg Med Chem Lett 12: 101-4 (2001)


BindingDB Entry DOI: 10.7270/Q2R49Q1C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50107577
PNG
((R)-2-(2'-Chloro-biphenyl-4-ylmethyl)-N*4*-hydroxy...)
Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1Cl)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C26H25ClN2O4/c27-22-8-4-3-6-20(22)17-11-9-16(10-12-17)13-19(15-24(31)29-33)26(32)28-25-21-7-2-1-5-18(21)14-23(25)30/h1-12,19,23,25,30,33H,13-15H2,(H,28,32)(H,29,31)/t19-,23-,25+/m1/s1
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150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharma Company

Curated by ChEMBL


Assay Description
Binding affinity for human gelatinase B (MMP-9)


Bioorg Med Chem Lett 12: 101-4 (2001)


BindingDB Entry DOI: 10.7270/Q2R49Q1C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50107577
PNG
((R)-2-(2'-Chloro-biphenyl-4-ylmethyl)-N*4*-hydroxy...)
Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1Cl)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C26H25ClN2O4/c27-22-8-4-3-6-20(22)17-11-9-16(10-12-17)13-19(15-24(31)29-33)26(32)28-25-21-7-2-1-5-18(21)14-23(25)30/h1-12,19,23,25,30,33H,13-15H2,(H,28,32)(H,29,31)/t19-,23-,25+/m1/s1
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PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharma Company

Curated by ChEMBL


Assay Description
Binding affinity for neutrophil collagenase (MMP-1)


Bioorg Med Chem Lett 12: 101-4 (2001)


BindingDB Entry DOI: 10.7270/Q2R49Q1C
More data for this
Ligand-Target Pair