BDBM50241372 (S)-1-(1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-3-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)urea::(S)-N-Methyl-3-phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-ureido]-propionamide::2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YL)-UREIDO]-N-METHYL-3-PHENYL-PROPIONAMIDE::CHEMBL249847::PNU-107859

SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1

InChI Key InChIKey=RKWXKADYTDWZIJ-VIFPVBQESA-N

Data  5 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50241372   

TargetStromelysin-1(Homo sapiens (Human))
Pomona College

Curated by ChEMBL
LigandPNGBDBM50241372((S)-1-(1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H15N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1
Affinity DataKi:  708nMAssay Description:Inhibition of MMP3More data for this Ligand-Target Pair
TargetStromelysin-1(Homo sapiens (Human))
Pomona College

Curated by ChEMBL
LigandPNGBDBM50241372((S)-1-(1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H15N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1
Affinity DataKi:  710nMAssay Description:Binding affinity for matrix metalloproteinase-3More data for this Ligand-Target Pair
TargetStromelysin-1(Homo sapiens (Human))
Pomona College

Curated by ChEMBL
LigandPNGBDBM50241372((S)-1-(1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H15N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1
Affinity DataKi:  710nMAssay Description:Inhibition of human stromelysin-1 (MMP-3)More data for this Ligand-Target Pair
Target72 kDa type IV collagenase(Homo sapiens (Human))
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50241372((S)-1-(1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H15N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1
Affinity DataKi:  3.00E+3nMAssay Description:Inhibition of human Matrix metalloproteinase-2 (gelatinase-A)More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Pharmacia and Upjohn, Inc.

Curated by ChEMBL
LigandPNGBDBM50241372((S)-1-(1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H15N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1
Affinity DataKi:  3.10E+4nMAssay Description:Binding affinity for matrix metalloproteinase-1More data for this Ligand-Target Pair