BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 117 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 4290   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Procathepsin L


(Homo sapiens (Human))
BDBM53779
PNG
(2-[(5Z)-4-keto-5-(1-naphthylmethylene)-2-thioxo-th...)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc3ccccc23)C1=O
Show InChI InChI=1S/C23H17NO3S2/c25-21-20(14-17-11-6-10-16-9-4-5-12-18(16)17)29-23(28)24(21)19(22(26)27)13-15-7-2-1-3-8-15/h1-12,14,19H,13H2,(H,26,27)/b20-14-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 2.84E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM47291
PNG
(3-hydroxy-N-[(5Z)-4-keto-5-(2-ketoindolin-3-yliden...)
Show SMILES Oc1cccc(c1)C(=O)NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H11N3O4S2/c22-10-5-3-4-9(8-10)15(23)20-21-17(25)14(27-18(21)26)13-11-6-1-2-7-12(11)19-16(13)24/h1-8,22H,(H,19,24)(H,20,23)/b14-13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.18E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM54140
PNG
(MLS001043248 | N-[(5Z)-4-keto-5-(2-ketoindolin-3-y...)
Show SMILES O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C18H11N3O3S2/c22-15(10-6-2-1-3-7-10)20-21-17(24)14(26-18(21)25)13-11-8-4-5-9-12(11)19-16(13)23/h1-9H,(H,19,23)(H,20,22)/b14-13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.83E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM53985
PNG
(MLS000687796 | N-[(5Z)-4-keto-5-(2-ketoindolin-3-y...)
Show SMILES O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1cccnc1
Show InChI InChI=1S/C17H10N4O3S2/c22-14(9-4-3-7-18-8-9)20-21-16(24)13(26-17(21)25)12-10-5-1-2-6-11(10)19-15(12)23/h1-8H,(H,19,23)(H,20,22)/b13-12-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.31E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59951
PNG
(4,5-Dimethoxy-2-[2-(3,5,8-trimethyl-quinolin-2-yls...)
Show SMILES COc1cc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C)c(cc1OC)C(O)=O
Show InChI InChI=1S/C23H24N2O5S/c1-12-6-7-13(2)21-15(12)8-14(3)22(25-21)31-11-20(26)24-17-10-19(30-5)18(29-4)9-16(17)23(27)28/h6-10H,11H2,1-5H3,(H,24,26)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.93E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM53650
PNG
(1-Phenylmethanesulfonyl-piperidine-4-carboxylic ac...)
Show SMILES Fc1cccc(CNC(=O)C2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C20H23FN2O3S/c21-19-8-4-7-17(13-19)14-22-20(24)18-9-11-23(12-10-18)27(25,26)15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59589
PNG
(2-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2...)
Show SMILES CCCCc1c(O)nc(SCC(=O)Nc2ccc3CCCc3c2)[nH]c1=O
Show InChI InChI=1S/C19H23N3O3S/c1-2-3-7-15-17(24)21-19(22-18(15)25)26-11-16(23)20-14-9-8-12-5-4-6-13(12)10-14/h8-10H,2-7,11H2,1H3,(H,20,23)(H2,21,22,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM53664
PNG
(MLS000074723 | N-[4-keto-2-(2-thenyl)quinazolin-3-...)
Show SMILES O=C(Nn1c(Cc2cccs2)nc2ccccc2c1=O)c1cccs1
Show InChI InChI=1S/C18H13N3O2S2/c22-17(15-8-4-10-25-15)20-21-16(11-12-5-3-9-24-12)19-14-7-2-1-6-13(14)18(21)23/h1-10H,11H2,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM56911
PNG
(2-(1-methyl-6-oxidanyl-4-oxidanylidene-pyrimidin-2...)
Show SMILES Cn1c(SCC(=O)Nc2cccc3ccccc23)nc(O)cc1=O
Show InChI InChI=1S/C17H15N3O3S/c1-20-16(23)9-14(21)19-17(20)24-10-15(22)18-13-8-4-6-11-5-2-3-7-12(11)13/h2-9,21H,10H2,1H3,(H,18,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59644
PNG
(7-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]...)
Show SMILES Cc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)c(C)c1
Show InChI InChI=1S/C17H15N5OS3/c1-10-3-4-13(11(2)7-10)19-15-20-21-17(26-15)25-9-12-8-14(23)22-5-6-24-16(22)18-12/h3-8H,9H2,1-2H3,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59651
PNG
(6-({[4-(2-furyl)-3-(methoxycarbonyl)thien-2-yl]ami...)
Show SMILES COC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1ccco1 |c:11|
Show InChI InChI=1S/C18H17NO6S/c1-24-18(23)14-12(13-7-4-8-25-13)9-26-16(14)19-15(20)10-5-2-3-6-11(10)17(21)22/h2-4,7-11H,5-6H2,1H3,(H,19,20)(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM53691
PNG
(1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-furanylm...)
Show SMILES O=C(NCc1ccco1)C1CCCN(C1)S(=O)(=O)c1cccc2nonc12
Show InChI InChI=1S/C17H18N4O5S/c22-17(18-10-13-5-3-9-25-13)12-4-2-8-21(11-12)27(23,24)15-7-1-6-14-16(15)20-26-19-14/h1,3,5-7,9,12H,2,4,8,10-11H2,(H,18,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59659
PNG
(2-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-ind...)
Show SMILES Oc1cc(=O)[nH]c(SCC(=O)Nc2ccc3CCCc3c2)n1
Show InChI InChI=1S/C15H15N3O3S/c19-12-7-13(20)18-15(17-12)22-8-14(21)16-11-5-4-9-2-1-3-10(9)6-11/h4-7H,1-3,8H2,(H,16,21)(H2,17,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59662
PNG
(3-(4-chlorophenyl)-1H-pyrazol-5-ol | 5-(4-chloroph...)
Show SMILES Clc1ccc(cc1)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-9(13)12-11-8/h1-5H,(H2,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59672
PNG
(3-(2,4-dimethylphenyl)-1H-pyrazol-5-ol | 5-(2,4-di...)
Show SMILES Cc1ccc(-c2cc(=O)[nH][nH]2)c(C)c1
Show InChI InChI=1S/C11H12N2O/c1-7-3-4-9(8(2)5-7)10-6-11(14)13-12-10/h3-6H,1-2H3,(H2,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59683
PNG
(MLS000093089 | N-(3,4-dimethylphenyl)-2-[(4-keto-1...)
Show SMILES Cc1ccc(NC(=O)CSc2nc3CCCc3c(=O)[nH]2)cc1C
Show InChI InChI=1S/C17H19N3O2S/c1-10-6-7-12(8-11(10)2)18-15(21)9-23-17-19-14-5-3-4-13(14)16(22)20-17/h6-8H,3-5,9H2,1-2H3,(H,18,21)(H,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59684
PNG
(2-[(4-keto-6-methyl-5H-pyrimidin-2-yl)thio]-N-(4-m...)
Show SMILES COc1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C14H15N3O3S/c1-9-7-12(18)17-14(15-9)21-8-13(19)16-10-3-5-11(20-2)6-4-10/h3-7H,8H2,1-2H3,(H,16,19)(H,15,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM52174
PNG
(1-(5-bromanylthiophen-2-yl)sulfonyl-N-(thiophen-2-...)
Show SMILES Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccs1
Show InChI InChI=1S/C15H17BrN2O3S3/c16-13-3-4-14(23-13)24(20,21)18-7-5-11(6-8-18)15(19)17-10-12-2-1-9-22-12/h1-4,9,11H,5-8,10H2,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM53702
PNG
(1-[(5-bromo-2-thienyl)sulfonyl]-N-piperonyl-isonip...)
Show SMILES Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C18H19BrN2O5S2/c19-16-3-4-17(27-16)28(23,24)21-7-5-13(6-8-21)18(22)20-10-12-1-2-14-15(9-12)26-11-25-14/h1-4,9,13H,5-8,10-11H2,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59701
PNG
(3-(3,4-dichlorophenyl)-1H-pyrazol-5-ol | 5-(3,4-di...)
Show SMILES Clc1ccc(cc1Cl)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C9H6Cl2N2O/c10-6-2-1-5(3-7(6)11)8-4-9(14)13-12-8/h1-4H,(H2,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59703
PNG
(MLS000052726 | N-(4-bromanyl-3-chloranyl-phenyl)-2...)
Show SMILES Clc1cc(NC(=O)CSc2nccc(=O)[nH]2)ccc1Br
Show InChI InChI=1S/C12H9BrClN3O2S/c13-8-2-1-7(5-9(8)14)16-11(19)6-20-12-15-4-3-10(18)17-12/h1-5H,6H2,(H,16,19)(H,15,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM41867
PNG
(5-(1-naphthalenyl)-1,2-dihydropyrazol-3-one | 5-(1...)
Show SMILES O=c1cc([nH][nH]1)-c1cccc2ccccc12
Show InChI InChI=1S/C13H10N2O/c16-13-8-12(14-15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59715
PNG
(6-[(2,5-dichloroanilino)-oxomethyl]-1-cyclohex-3-e...)
Show SMILES OC(=O)C1CC=CCC1C(=O)Nc1cc(Cl)ccc1Cl |c:5|
Show InChI InChI=1S/C14H13Cl2NO3/c15-8-5-6-11(16)12(7-8)17-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10H,3-4H2,(H,17,18)(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59724
PNG
(2-[(4-hydroxy-6-methyl-2-pyrimidinyl)thio]-N-[3-(t...)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C14H12F3N3O2S/c1-8-5-11(21)20-13(18-8)23-7-12(22)19-10-4-2-3-9(6-10)14(15,16)17/h2-6H,7H2,1H3,(H,19,22)(H,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM40645
PNG
(3-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]ace...)
Show SMILES COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1
Show InChI InChI=1S/C15H15N3O4S/c1-9-6-12(19)18-15(16-9)23-8-13(20)17-11-5-3-4-10(7-11)14(21)22-2/h3-7H,8H2,1-2H3,(H,17,20)(H,16,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM45405
PNG
(6-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamoyl]cyc...)
Show SMILES COc1cc(NC(=O)C2CC=CCC2C(O)=O)c(OC)cc1Cl |c:10|
Show InChI InChI=1S/C16H18ClNO5/c1-22-13-8-12(14(23-2)7-11(13)17)18-15(19)9-5-3-4-6-10(9)16(20)21/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59732
PNG
(MLS000049749 | N-(3-chloranyl-4-fluoranyl-phenyl)-...)
Show SMILES Fc1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C12H9ClFN3O2S/c13-8-5-7(1-2-9(8)14)16-11(19)6-20-12-15-4-3-10(18)17-12/h1-5H,6H2,(H,16,19)(H,15,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59734
PNG
(3-(3-ethoxyphenyl)-1H-pyrazol-5-ol | 5-(3-ethoxyph...)
Show SMILES CCOc1cccc(c1)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C11H12N2O2/c1-2-15-9-5-3-4-8(6-9)10-7-11(14)13-12-10/h3-7H,2H2,1H3,(H2,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59743
PNG
(MLS000114429 | N-[4-(diethylamino)phenyl]-2-[(4-ke...)
Show SMILES CCN(CC)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C17H22N4O2S/c1-4-21(5-2)14-8-6-13(7-9-14)19-16(23)11-24-17-18-12(3)10-15(22)20-17/h6-10H,4-5,11H2,1-3H3,(H,19,23)(H,18,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59744
PNG
(2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(...)
Show SMILES CCN(CC)c1ccc(NC(=O)CSc2nnc(N)s2)cc1C
Show InChI InChI=1S/C15H21N5OS2/c1-4-20(5-2)12-7-6-11(8-10(12)3)17-13(21)9-22-15-19-18-14(16)23-15/h6-8H,4-5,9H2,1-3H3,(H2,16,18)(H,17,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM46660
PNG
(5-(3-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thi...)
Show SMILES Brc1cccc(c1)-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C8H6BrN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59757
PNG
(6-[(4-ethylanilino)-oxomethyl]-1-cyclohex-3-enecar...)
Show SMILES CCc1ccc(NC(=O)C2CC=CCC2C(O)=O)cc1 |c:11|
Show InChI InChI=1S/C16H19NO3/c1-2-11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)16(19)20/h3-4,7-10,13-14H,2,5-6H2,1H3,(H,17,18)(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59758
PNG
(2-(p-cumenylcarbamoyl)cyclohexanecarboxylic acid |...)
Show SMILES CC(C)c1ccc(NC(=O)C2CCCCC2C(O)=O)cc1
Show InChI InChI=1S/C17H23NO3/c1-11(2)12-7-9-13(10-8-12)18-16(19)14-5-3-4-6-15(14)17(20)21/h7-11,14-15H,3-6H2,1-2H3,(H,18,19)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59766
PNG
(6-[(5-tert-butyl-2-methoxy-phenyl)carbamoyl]cycloh...)
Show SMILES COc1ccc(cc1NC(=O)C1CC=CCC1C(O)=O)C(C)(C)C |c:14|
Show InChI InChI=1S/C19H25NO4/c1-19(2,3)12-9-10-16(24-4)15(11-12)20-17(21)13-7-5-6-8-14(13)18(22)23/h5-6,9-11,13-14H,7-8H2,1-4H3,(H,20,21)(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59769
PNG
(1-(4-ethoxyphenyl)-3-(6-quinoxalinyl)urea | 1-(4-e...)
Show SMILES CCOc1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1
Show InChI InChI=1S/C17H16N4O2/c1-2-23-14-6-3-12(4-7-14)20-17(22)21-13-5-8-15-16(11-13)19-10-9-18-15/h3-11H,2H2,1H3,(H2,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59771
PNG
(6-[(3-chloroanilino)-oxomethyl]-1-cyclohex-3-eneca...)
Show SMILES OC(=O)C1CC=CCC1C(=O)Nc1cccc(Cl)c1 |c:5|
Show InChI InChI=1S/C14H14ClNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h1-5,8,11-12H,6-7H2,(H,16,17)(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM53722
PNG
(2-(2-tert-butyl-4-keto-quinazolin-3-yl)isoindoline...)
Show SMILES CC(C)(C)c1nc2ccccc2c(=O)n1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H17N3O3/c1-20(2,3)19-21-15-11-7-6-10-14(15)18(26)23(19)22-16(24)12-8-4-5-9-13(12)17(22)25/h4-11H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59781
PNG
(2-(1-Allyl-6-amino-4-oxo-1,4-dihydro-pyrimidin-2-y...)
Show SMILES Nc1cc(=O)nc(SCC(=O)Nc2ccc3ccccc3c2)n1CC=C
Show InChI InChI=1S/C19H18N4O2S/c1-2-9-23-16(20)11-17(24)22-19(23)26-12-18(25)21-15-8-7-13-5-3-4-6-14(13)10-15/h2-8,10-11H,1,9,12,20H2,(H,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59791
PNG
(5-(4-Methoxy-phenyl)-2H-pyrazol-3-ol | 5-(4-methox...)
Show SMILES COc1ccc(cc1)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C10H10N2O2/c1-14-8-4-2-7(3-5-8)9-6-10(13)12-11-9/h2-6H,1H3,(H2,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM46605
PNG
(5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thi...)
Show SMILES Brc1ccccc1-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C8H6BrN3S/c9-6-4-2-1-3-5(6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59817
PNG
(3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-ol | 5-(3,4-d...)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C11H12N2O3/c1-15-9-4-3-7(5-10(9)16-2)8-6-11(14)13-12-8/h3-6H,1-2H3,(H2,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59824
PNG
(1-(4-ethoxyphenyl)-3-thiophen-2-yl-urea | 1-(4-eth...)
Show SMILES CCOc1ccc(NC(=O)Nc2cccs2)cc1
Show InChI InChI=1S/C13H14N2O2S/c1-2-17-11-7-5-10(6-8-11)14-13(16)15-12-4-3-9-18-12/h3-9H,2H2,1H3,(H2,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59829
PNG
(6-({[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]am...)
Show SMILES COC(=O)c1c(C)c(C)sc1NC(=O)C1CC=CCC1C(O)=O |c:17|
Show InChI InChI=1S/C16H19NO5S/c1-8-9(2)23-14(12(8)16(21)22-3)17-13(18)10-6-4-5-7-11(10)15(19)20/h4-5,10-11H,6-7H2,1-3H3,(H,17,18)(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM53751
PNG
(1-(5-bromanylthiophen-2-yl)sulfonyl-N-[2-(cyclohex...)
Show SMILES Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCCC1=CCCCC1 |t:22|
Show InChI InChI=1S/C18H25BrN2O3S2/c19-16-6-7-17(25-16)26(23,24)21-12-9-15(10-13-21)18(22)20-11-8-14-4-2-1-3-5-14/h4,6-7,15H,1-3,5,8-13H2,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59840
PNG
(2-(5-ethyl-6-hydroxy-4-oxo-1-prop-2-enylpyrimidin-...)
Show SMILES CCc1c(O)nc(SCC(=O)Nc2cccc3ccccc23)n(CC=C)c1=O
Show InChI InChI=1S/C21H21N3O3S/c1-3-12-24-20(27)15(4-2)19(26)23-21(24)28-13-18(25)22-17-11-7-9-14-8-5-6-10-16(14)17/h3,5-11,26H,1,4,12-13H2,2H3,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59842
PNG
(2-(6-hydroxy-1-methyl-4-oxopyrimidin-2-yl)sulfanyl...)
Show SMILES COc1ccc(NC(=O)CSc2nc(O)cc(=O)n2C)cc1
Show InChI InChI=1S/C14H15N3O4S/c1-17-13(20)7-11(18)16-14(17)22-8-12(19)15-9-3-5-10(21-2)6-4-9/h3-7,18H,8H2,1-2H3,(H,15,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59850
PNG
(3-[(4-methylphenyl)sulfanylmethyl]-1,4-dihydropyra...)
Show SMILES Cc1ccc(SCc2cc(=O)[nH][nH]2)cc1
Show InChI InChI=1S/C11H12N2OS/c1-8-2-4-10(5-3-8)15-7-9-6-11(14)13-12-9/h2-6H,7H2,1H3,(H2,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59855
PNG
(6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)...)
Show SMILES OC(=O)CCCCCNC(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C15H20N2O5/c18-14(19)4-2-1-3-7-16-15(20)17-11-5-6-12-13(10-11)22-9-8-21-12/h5-6,10H,1-4,7-9H2,(H,18,19)(H2,16,17,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59875
PNG
(2-[[3-(5-methyl-2-furanyl)anilino]-oxomethyl]-3-bi...)
Show SMILES [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1cccc(c1)-c1ccc(C)o1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
Show InChI InChI=1S/C20H19NO4/c1-11-5-8-16(25-11)12-3-2-4-15(10-12)21-19(22)17-13-6-7-14(9-13)18(17)20(23)24/h2-8,10,13-14,17-18H,9H2,1H3,(H,21,22)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM59881
PNG
(6-({[3-(ethoxycarbonyl)-4-(3-methylphenyl)-2-thien...)
Show SMILES CCOC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1cccc(C)c1 |c:12|
Show InChI InChI=1S/C22H23NO5S/c1-3-28-22(27)18-17(14-8-6-7-13(2)11-14)12-29-20(18)23-19(24)15-9-4-5-10-16(15)21(25)26/h4-8,11-12,15-16H,3,9-10H2,1-2H3,(H,23,24)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 117 total )  |  Next  |  Last  >>
Jump to: