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BDBM50078932 (2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydrazinocarbonyl}-5-phenyl-pentyl)-{2-phenyl-1-[(quinoline-2-carbonyl)-amino]-ethyl}-phosphinic acid::CHEMBL313896

SMILES: NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1

InChI Key: InChIKey=NFDNOGJHVSTSMJ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50078932   
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
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078932
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C41H43N6O5P/c42-39(48)37(25-32-26-44-35-21-10-8-19-33(32)35)47(43)41(50)31(18-11-16-28-12-3-1-4-13-28)27-53(51,52)38(24-29-14-5-2-6-15-29)46-40(49)36-23-22-30-17-7-9-20-34(30)45-36/h1-10,12-15,17,19-23,26,31,37-38,44H,11,16,18,24-25,27,43H2,(H2,42,48)(H,46,49)(H,51,52)
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4.20n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078932
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C41H43N6O5P/c42-39(48)37(25-32-26-44-35-21-10-8-19-33(32)35)47(43)41(50)31(18-11-16-28-12-3-1-4-13-28)27-53(51,52)38(24-29-14-5-2-6-15-29)46-40(49)36-23-22-30-17-7-9-20-34(30)45-36/h1-10,12-15,17,19-23,26,31,37-38,44H,11,16,18,24-25,27,43H2,(H2,42,48)(H,46,49)(H,51,52)
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078932
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C41H43N6O5P/c42-39(48)37(25-32-26-44-35-21-10-8-19-33(32)35)47(43)41(50)31(18-11-16-28-12-3-1-4-13-28)27-53(51,52)38(24-29-14-5-2-6-15-29)46-40(49)36-23-22-30-17-7-9-20-34(30)45-36/h1-10,12-15,17,19-23,26,31,37-38,44H,11,16,18,24-25,27,43H2,(H2,42,48)(H,46,49)(H,51,52)
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13n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50078932
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C41H43N6O5P/c42-39(48)37(25-32-26-44-35-21-10-8-19-33(32)35)47(43)41(50)31(18-11-16-28-12-3-1-4-13-28)27-53(51,52)38(24-29-14-5-2-6-15-29)46-40(49)36-23-22-30-17-7-9-20-34(30)45-36/h1-10,12-15,17,19-23,26,31,37-38,44H,11,16,18,24-25,27,43H2,(H2,42,48)(H,46,49)(H,51,52)
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19n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50078932
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C41H43N6O5P/c42-39(48)37(25-32-26-44-35-21-10-8-19-33(32)35)47(43)41(50)31(18-11-16-28-12-3-1-4-13-28)27-53(51,52)38(24-29-14-5-2-6-15-29)46-40(49)36-23-22-30-17-7-9-20-34(30)45-36/h1-10,12-15,17,19-23,26,31,37-38,44H,11,16,18,24-25,27,43H2,(H2,42,48)(H,46,49)(H,51,52)
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60n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50078932
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C41H43N6O5P/c42-39(48)37(25-32-26-44-35-21-10-8-19-33(32)35)47(43)41(50)31(18-11-16-28-12-3-1-4-13-28)27-53(51,52)38(24-29-14-5-2-6-15-29)46-40(49)36-23-22-30-17-7-9-20-34(30)45-36/h1-10,12-15,17,19-23,26,31,37-38,44H,11,16,18,24-25,27,43H2,(H2,42,48)(H,46,49)(H,51,52)
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340n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50078932
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C41H43N6O5P/c42-39(48)37(25-32-26-44-35-21-10-8-19-33(32)35)47(43)41(50)31(18-11-16-28-12-3-1-4-13-28)27-53(51,52)38(24-29-14-5-2-6-15-29)46-40(49)36-23-22-30-17-7-9-20-34(30)45-36/h1-10,12-15,17,19-23,26,31,37-38,44H,11,16,18,24-25,27,43H2,(H2,42,48)(H,46,49)(H,51,52)
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370n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-7 Matrilysin


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair