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There are 869 purchasable compounds for target: kallikrein-related peptidase 5 preproprotein

Wt: 336.2
BDBM1885
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Wt: 344.4
BDBM15649
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Wt: 439.4
BDBM29613
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Wt: 313.3
BDBM31029
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Wt: 259.3
BDBM31039
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Wt: 279.2
BDBM32709
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Wt: 363.4
BDBM32755
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Wt: 202.2
BDBM32713
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Wt: 395.4
BDBM32728
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Wt: 347.3
BDBM32665
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Wt: 223.2
BDBM32701
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Wt: 291.3
BDBM32671
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Wt: 332.1
BDBM32675
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Wt: 216.2
BDBM32676
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Wt: 322.4
BDBM32025
Displayed 1 to 15 (of 869 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 1885,15649,29613,31029,31039,32025,32665,32671,32675,32676,32701,32709,32713,32728,32755   
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
Kallikrein 5


(Homo sapiens (Human))
BDBM31039
PNG
(2,6-dimethyl-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)mor...)
Show SMILES CC1CN(CC(C)O1)c1nnnn1-c1ccccc1
Show InChI InChI=1S/C13H17N5O/c1-10-8-17(9-11(2)19-10)13-14-15-16-18(13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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PC sid
UniChem
PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


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Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM32676
PNG
((3-amino-1,2,4-triazol-4-yl)-(3,5-dimethylphenyl)m...)
Show SMILES Cc1cc(C)cc(c1)C(=O)n1cnnc1N
Show InChI InChI=1S/C11H12N4O/c1-7-3-8(2)5-9(4-7)10(16)15-6-13-14-11(15)12/h3-6H,1-2H3,(H2,12,14)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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UniChem
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n/an/a 275n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


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Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM32709
PNG
((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Show SMILES Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1
Show InChI InChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)14(21)20-15(16)18-13(19-20)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19)
PDB
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KEGG

UniProtKB/TrEMBL

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n/an/a 408n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


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Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM32713
PNG
((3-amino-1,2,4-triazol-4-yl)-(4-methylphenyl)metha...)
Show SMILES Cc1ccc(cc1)C(=O)n1cnnc1N
Show InChI InChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)
PDB
MMDB

KEGG

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n/an/a 2.22E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


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Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM32728
PNG
(1-benzotriazolyl-[3-(3-methoxyphenyl)-1-phenyl-4-p...)
Show SMILES COc1cccc(c1)-c1nn(cc1C(=O)n1nnc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H17N5O2/c1-30-18-11-7-8-16(14-18)22-19(15-27(25-22)17-9-3-2-4-10-17)23(29)28-21-13-6-5-12-20(21)24-26-28/h2-15H,1H3
PDB
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PCBioAssay
n/an/a 2.47E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


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More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM1885
PNG
(3-(5-bromopyridin-2-yl)-1-(2-phenylethyl)thiourea ...)
Show SMILES Brc1ccc(NC(=S)NCCc2ccccc2)nc1
Show InChI InChI=1S/C14H14BrN3S/c15-12-6-7-13(17-10-12)18-14(19)16-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,17,18,19)
PDB
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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


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More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM29613
PNG
(2-Imino-1-(4-methyl-benzyl)-10-oxo-1,10-dihydro-2H...)
Show SMILES Cc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
Show InChI InChI=1S/C25H21N5O3/c1-16-7-9-17(10-8-16)15-30-22(26)19(24(31)27-14-18-5-4-12-33-18)13-20-23(30)28-21-6-2-3-11-29(21)25(20)32/h2-13,26H,14-15H2,1H3,(H,27,31)
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n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM32755
PNG
(2-thiophenecarboxylic acid [5-amino-1-(4-methylphe...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
Show InChI InChI=1S/C15H13N3O4S2/c1-10-4-6-11(7-5-10)24(20,21)18-13(16)9-14(17-18)22-15(19)12-3-2-8-23-12/h2-9H,16H2,1H3
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CHEMBL
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n/an/a 7.44E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM32665
PNG
(2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
Show InChI InChI=1S/C15H13N3O5S/c1-10-4-6-11(7-5-10)24(20,21)18-13(16)9-14(17-18)23-15(19)12-3-2-8-22-12/h2-9H,16H2,1H3
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n/an/a 473n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


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More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM31029
PNG
(4-methyl-2-phenyl-6-propionamido-pyrimidine-5-carb...)
Show SMILES CCOC(=O)c1c(C)nc(nc1NC(=O)CC)-c1ccccc1
Show InChI InChI=1S/C17H19N3O3/c1-4-13(21)19-16-14(17(22)23-5-2)11(3)18-15(20-16)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3,(H,18,19,20,21)
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n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


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Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM15649
PNG
(Pyrrolidine Carboxamide Compound s2 | cid_2856288 ...)
Show SMILES COC(=O)c1ccccc1NC(=O)C1CN(C2CCCCC2)C(=O)C1
Show InChI InChI=1S/C19H24N2O4/c1-25-19(24)15-9-5-6-10-16(15)20-18(23)13-11-17(22)21(12-13)14-7-3-2-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,20,23)
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n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


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More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM32671
PNG
(3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1...)
Show SMILES CSc1nc(nn1C(=O)c1cccs1)-c1ccco1
Show InChI InChI=1S/C12H9N3O2S2/c1-18-12-13-10(8-4-2-6-17-8)14-15(12)11(16)9-5-3-7-19-9/h2-7H,1H3
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n/an/a 501n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM32675
PNG
(1-(3-bromo-4-methoxybenzoyl)-1H-1,2,3-benzotriazol...)
Show SMILES COc1ccc(cc1Br)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C14H10BrN3O2/c1-20-13-7-6-9(8-10(13)15)14(19)18-12-5-3-2-4-11(12)16-17-18/h2-8H,1H3
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PCBioAssay
n/an/a 2.89E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


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More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM32701
PNG
(1-benzotriazolyl(phenyl)methanone | Benzotriazol-1...)
Show SMILES O=C(c1ccccc1)n1nnc2ccccc12
Show InChI InChI=1S/C13H9N3O/c17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14-15-16/h1-9H
PDB
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UniProtKB/TrEMBL

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PC cid
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UniChem

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PCBioAssay
n/an/a 4.55E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


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More data for this
Ligand-Target Pair