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BDBM50104977 11-(3',5'-Dichloro-biphenyl-4-ylmethyl)-2,10-dioxo-1-oxa-3,9-diaza-cyclopentadecane-8,12-dicarboxylic acid 12-hydroxyamide 8-[(2-morpholin-4-yl-2-oxo-ethyl)-amide]::CHEMBL324550

InChI string: InChI=1S/C33H41Cl2N5O8/c34-24-17-23(18-25(35)19-24)22-8-6-21(7-9-22)16-27-26(31(43)39-46)4-3-13-48-33(45)36-10-2-1-5-28(38-30(27)42)32(44)37-20-29(41)40-11-14-47-15-12-40/h6-9,17-19,26-28,46H,1-5,10-16,20H2,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t26-,27+,28-/m0/s1

SMILES: ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)N1CCOCC1

InChI Key: InChIKey=USDVPRSOSNTZAZ-IARZGTGTSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50104977   
Target
(Institution)
LigandTarget
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
ADAM17


(Sus scrofa (pig))
BDBM50104977
PNG
(11-(3',5'-Dichloro-biphenyl-4-ylmethyl)-2,10-dioxo...)
Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)N1CCOCC1
Show InChI InChI=1S/C33H41Cl2N5O8/c34-24-17-23(18-25(35)19-24)22-8-6-21(7-9-22)16-27-26(31(43)39-46)4-3-13-48-33(45)36-10-2-1-5-28(38-30(27)42)32(44)37-20-29(41)40-11-14-47-15-12-40/h6-9,17-19,26-28,46H,1-5,10-16,20H2,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t26-,27+,28-/m0/s1
PDB
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2.80n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of porcine TNF-alpha converting enzyme(pTACE).


J Med Chem 44: 3351-4 (2001)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50104977
PNG
(11-(3',5'-Dichloro-biphenyl-4-ylmethyl)-2,10-dioxo...)
Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)N1CCOCC1
Show InChI InChI=1S/C33H41Cl2N5O8/c34-24-17-23(18-25(35)19-24)22-8-6-21(7-9-22)16-27-26(31(43)39-46)4-3-13-48-33(45)36-10-2-1-5-28(38-30(27)42)32(44)37-20-29(41)40-11-14-47-15-12-40/h6-9,17-19,26-28,46H,1-5,10-16,20H2,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t26-,27+,28-/m0/s1
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50n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


J Med Chem 44: 3351-4 (2001)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104977
PNG
(11-(3',5'-Dichloro-biphenyl-4-ylmethyl)-2,10-dioxo...)
Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)N1CCOCC1
Show InChI InChI=1S/C33H41Cl2N5O8/c34-24-17-23(18-25(35)19-24)22-8-6-21(7-9-22)16-27-26(31(43)39-46)4-3-13-48-33(45)36-10-2-1-5-28(38-30(27)42)32(44)37-20-29(41)40-11-14-47-15-12-40/h6-9,17-19,26-28,46H,1-5,10-16,20H2,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t26-,27+,28-/m0/s1
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183n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-9


J Med Chem 44: 3351-4 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50104977
PNG
(11-(3',5'-Dichloro-biphenyl-4-ylmethyl)-2,10-dioxo...)
Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)N1CCOCC1
Show InChI InChI=1S/C33H41Cl2N5O8/c34-24-17-23(18-25(35)19-24)22-8-6-21(7-9-22)16-27-26(31(43)39-46)4-3-13-48-33(45)36-10-2-1-5-28(38-30(27)42)32(44)37-20-29(41)40-11-14-47-15-12-40/h6-9,17-19,26-28,46H,1-5,10-16,20H2,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t26-,27+,28-/m0/s1
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PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1


J Med Chem 44: 3351-4 (2001)

More data for this
Ligand-Target Pair