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BDBM50107572 (R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-yl)-2-(2'-methyl-biphenyl-4-ylmethyl)-succinamide::CHEMBL266245

SMILES: Cc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1

InChI Key: InChIKey=BDVACXGBIHLFIX-QQSVUBKYSA-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 = 50107572   
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))
BDBM50107572
PNG
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)
Show SMILES Cc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C27H28N2O4/c1-17-6-2-4-8-22(17)19-12-10-18(11-13-19)14-21(16-25(31)29-33)27(32)28-26-23-9-5-3-7-20(23)15-24(26)30/h2-13,21,24,26,30,33H,14-16H2,1H3,(H,28,32)(H,29,31)/t21-,24-,26+/m1/s1
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PubMed
<2.80n/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))
BDBM50107572
PNG
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)
Show SMILES Cc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C27H28N2O4/c1-17-6-2-4-8-22(17)19-12-10-18(11-13-19)14-21(16-25(31)29-33)27(32)28-26-23-9-5-3-7-20(23)15-24(26)30/h2-13,21,24,26,30,33H,14-16H2,1H3,(H,28,32)(H,29,31)/t21-,24-,26+/m1/s1
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4.20n/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))
BDBM50107572
PNG
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)
Show SMILES Cc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C27H28N2O4/c1-17-6-2-4-8-22(17)19-12-10-18(11-13-19)14-21(16-25(31)29-33)27(32)28-26-23-9-5-3-7-20(23)15-24(26)30/h2-13,21,24,26,30,33H,14-16H2,1H3,(H,28,32)(H,29,31)/t21-,24-,26+/m1/s1
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PubMed
4.11E+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