BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 225 hits with Last Name = 'hartmann' and Initial = 'g'   
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
Cathepsin S


(Mus musculus (Mouse))		BDBM50444314
PNG
(CHEMBL3093935)
Show SMILES Clc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1CCCCC1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C22H26ClN3O4S/c23-17-8-4-5-9-19(17)31(29,30)16-12-18(20(27)25-22(14-24)10-11-22)26(13-16)21(28)15-6-2-1-3-7-15/h4-5,8-9,15-16,18H,1-3,6-7,10-13H2,(H,25,27)/t16-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Pharma Research and Early

Curated by ChEMBL


Assay Description
Inhibition of mouse cathepsin-S using Z-Val-Val-Arg-AMC as substrate up to 20 mins by fluorescence assay

J Med Chem 56: 9789-801 (2014)


Article DOI: 10.1021/jm401528k
BindingDB Entry DOI: 10.7270/Q2N58NTW
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))		BDBM50444318
PNG
(CHEMBL3093940)
Show SMILES O=C(NCC#N)[C@@H]1C[C@H](C[C@H]1C(=O)N1CCOCC1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H23N3O5S/c20-6-7-21-18(23)16-12-15(28(25,26)14-4-2-1-3-5-14)13-17(16)19(24)22-8-10-27-11-9-22/h1-5,15-17H,7-13H2,(H,21,23)/t15-,16-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pharma Research and Early

Curated by ChEMBL


Assay Description
Inhibition of mouse cathepsin-S using Z-Val-Val-Arg-AMC as substrate up to 20 mins by fluorescence assay

J Med Chem 56: 9789-801 (2014)


Article DOI: 10.1021/jm401528k
BindingDB Entry DOI: 10.7270/Q2N58NTW
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))		BDBM50444315
PNG
(CHEMBL3093934)
Show SMILES Clc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C22H20ClN3O4S/c23-17-8-4-5-9-19(17)31(29,30)16-12-18(20(27)25-22(14-24)10-11-22)26(13-16)21(28)15-6-2-1-3-7-15/h1-9,16,18H,10-13H2,(H,25,27)/t16-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pharma Research and Early

Curated by ChEMBL


Assay Description
Inhibition of mouse cathepsin-S using Z-Val-Val-Arg-AMC as substrate up to 20 mins by fluorescence assay

J Med Chem 56: 9789-801 (2014)


Article DOI: 10.1021/jm401528k
BindingDB Entry DOI: 10.7270/Q2N58NTW
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210877
PNG
(US9290467, 47)
Show SMILES CSc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:8|
Show InChI InChI=1S/C25H24ClN3O4S/c1-34-17-5-7-21-18(14-17)23(30)28-20(24(31)29-25(15-27)8-9-25)13-16-4-6-22(19(26)12-16)33-11-3-2-10-32-21/h2-7,12,14,20H,8-11,13H2,1H3,(H,28,30)(H,29,31)/b3-2+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210881
PNG
(US9290467, 51)
Show SMILES CSc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|
Show InChI InChI=1S/C25H26ClN3O4S/c1-34-17-5-7-21-18(14-17)23(30)28-20(24(31)29-25(15-27)8-9-25)13-16-4-6-22(19(26)12-16)33-11-3-2-10-32-21/h4-7,12,14,20H,2-3,8-11,13H2,1H3,(H,28,30)(H,29,31)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))		BDBM50444313
PNG
(CHEMBL3093936)
Show SMILES CC(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C17H18ClN3O4S/c1-11(22)21-9-12(26(24,25)15-5-3-2-4-13(15)18)8-14(21)16(23)20-17(10-19)6-7-17/h2-5,12,14H,6-9H2,1H3,(H,20,23)/t12-,14+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pharma Research and Early

Curated by ChEMBL


Assay Description
Inhibition of mouse cathepsin-S using Z-Val-Val-Arg-AMC as substrate up to 20 mins by fluorescence assay

J Med Chem 56: 9789-801 (2014)


Article DOI: 10.1021/jm401528k
BindingDB Entry DOI: 10.7270/Q2N58NTW
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210873
PNG
(US9290467, 43)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(ccc3OCCCCOc1cc2)C1CNC1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C27H29ClN4O4/c28-21-11-17-3-5-24(21)36-10-2-1-9-35-23-6-4-18(19-14-30-15-19)13-20(23)25(33)31-22(12-17)26(34)32-27(16-29)7-8-27/h3-6,11,13,19,22,30H,1-2,7-10,12,14-15H2,(H,31,33)(H,32,34)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210875
PNG
(US9290467, 45)
Show SMILES Fc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1F)C(=O)NC1(CC1)C#N)cc3Cl |r,t:7|
Show InChI InChI=1S/C24H20ClF2N3O4/c25-15-11-14-3-5-18(15)33-9-1-2-10-34-19-6-4-16(26)21(27)20(19)23(32)29-17(12-14)22(31)30-24(13-28)7-8-24/h1-6,11,17H,7-10,12H2,(H,29,32)(H,30,31)/b2-1+/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210871
PNG
(US9290467, 41)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(ccc3OC\C=C\COc1cc2)C1CNC1)C(=O)NC1(CC1)C#N |r,t:18|
Show InChI InChI=1S/C27H27ClN4O4/c28-21-11-17-3-5-24(21)36-10-2-1-9-35-23-6-4-18(19-14-30-15-19)13-20(23)25(33)31-22(12-17)26(34)32-27(16-29)7-8-27/h1-6,11,13,19,22,30H,7-10,12,14-15H2,(H,31,33)(H,32,34)/b2-1+/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 5.20n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cathepsin S


(Mus musculus (Mouse))		BDBM50444317
PNG
(CHEMBL3093932)
Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)[C@H]1CN[C@@H](C1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C16H16F3N3O3S/c17-16(18,19)11-3-1-2-4-13(11)26(24,25)10-7-12(21-8-10)14(23)22-15(9-20)5-6-15/h1-4,10,12,21H,5-8H2,(H,22,23)/t10-,12+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Pharma Research and Early

Curated by ChEMBL


Assay Description
Inhibition of mouse cathepsin-S using Z-Val-Val-Arg-AMC as substrate up to 20 mins by fluorescence assay

J Med Chem 56: 9789-801 (2014)


Article DOI: 10.1021/jm401528k
BindingDB Entry DOI: 10.7270/Q2N58NTW
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210870
PNG
(US9290467, 40)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(ccc3OC\C=C\COc1cc2)C#N)C(=O)NC1(CC1)C#N |r,t:18|
Show InChI InChI=1S/C25H21ClN4O4/c26-19-12-16-3-6-22(19)34-10-2-1-9-33-21-5-4-17(14-27)11-18(21)23(31)29-20(13-16)24(32)30-25(15-28)7-8-25/h1-6,11-12,20H,7-10,13H2,(H,29,31)(H,30,32)/b2-1+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.90n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50348226
PNG
(CHEMBL1800622)
Show SMILES COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C30H26F9NO3/c1-15(2)17-5-8-25(42-4)24(12-17)23-7-6-20(28(31,32)33)11-19(23)14-40-16(3)26(43-27(40)41)18-9-21(29(34,35)36)13-22(10-18)30(37,38)39/h5-13,15-16,26H,14H2,1-4H3/t16-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein using exogenous LDL and ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210867
PNG
(US9290467, 37)
Show SMILES FC(F)(F)c1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|
Show InChI InChI=1S/C25H23ClF3N3O4/c26-18-11-15-3-5-21(18)36-10-2-1-9-35-20-6-4-16(25(27,28)29)13-17(20)22(33)31-19(12-15)23(34)32-24(14-30)7-8-24/h3-6,11,13,19H,1-2,7-10,12H2,(H,31,33)(H,32,34)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50578772
PNG
(CHEMBL4873416)
Show SMILES COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein using exogenous LDL and ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210864
PNG
(US9290467, 34)
Show SMILES FC(F)(F)c1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:10|
Show InChI InChI=1S/C25H21ClF3N3O4/c26-18-11-15-3-5-21(18)36-10-2-1-9-35-20-6-4-16(25(27,28)29)13-17(20)22(33)31-19(12-15)23(34)32-24(14-30)7-8-24/h1-6,11,13,19H,7-10,12H2,(H,31,33)(H,32,34)/b2-1+/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210874
PNG
(US9290467, 44)
Show SMILES Fc1cc(F)c2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:8|
Show InChI InChI=1S/C24H20ClF2N3O4/c25-17-9-14-3-4-20(17)33-7-1-2-8-34-21-16(11-15(26)12-18(21)27)22(31)29-19(10-14)23(32)30-24(13-28)5-6-24/h1-4,9,11-12,19H,5-8,10H2,(H,29,31)(H,30,32)/b2-1+/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.20n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210835
PNG
(US9290467, 5)
Show SMILES Clc1cc2C[C@H](NC(=O)c3ccccc3CC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18|
Show InChI InChI=1S/C25H24ClN3O3/c26-20-14-17-9-10-22(20)32-13-5-1-2-6-18-7-3-4-8-19(18)23(30)28-21(15-17)24(31)29-25(16-27)11-12-25/h1,3-5,7-10,14,21H,2,6,11-13,15H2,(H,28,30)(H,29,31)/b5-1+/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.60n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210868
PNG
(US9290467, 38)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(Br)ccc3NC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:19|
Show InChI InChI=1S/C24H22BrClN4O3/c25-16-4-5-19-17(13-16)22(31)29-20(23(32)30-24(14-27)7-8-24)12-15-3-6-21(18(26)11-15)33-10-2-1-9-28-19/h1-6,11,13,20,28H,7-10,12H2,(H,29,31)(H,30,32)/b2-1+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210839
PNG
(US9290467, 9)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(Br)ccc3OCCCCOc1cc2)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H23BrClN3O4/c25-16-4-6-20-17(13-16)22(30)28-19(23(31)29-24(14-27)7-8-24)12-15-3-5-21(18(26)11-15)33-10-2-1-9-32-20/h3-6,11,13,19H,1-2,7-10,12H2,(H,28,30)(H,29,31)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210840
PNG
(US9290467, 10)
Show SMILES Clc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:7|
Show InChI InChI=1S/C24H21Cl2N3O4/c25-16-4-6-20-17(13-16)22(30)28-19(23(31)29-24(14-27)7-8-24)12-15-3-5-21(18(26)11-15)33-10-2-1-9-32-20/h1-6,11,13,19H,7-10,12H2,(H,28,30)(H,29,31)/b2-1+/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.3n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210847
PNG
(US9290467, 17)
Show SMILES COc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|
Show InChI InChI=1S/C25H26ClN3O5/c1-32-17-5-7-21-18(14-17)23(30)28-20(24(31)29-25(15-27)8-9-25)13-16-4-6-22(19(26)12-16)34-11-3-2-10-33-21/h4-7,12,14,20H,2-3,8-11,13H2,1H3,(H,28,30)(H,29,31)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 10.4n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210858
PNG
(US9290467, 28)
Show SMILES Clc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3I |r,t:7|
Show InChI InChI=1S/C24H21ClIN3O4/c25-16-4-6-20-17(13-16)22(30)28-19(23(31)29-24(14-27)7-8-24)12-15-3-5-21(18(26)11-15)33-10-2-1-9-32-20/h1-6,11,13,19H,7-10,12H2,(H,28,30)(H,29,31)/b2-1+/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210846
PNG
(US9290467, 16)
Show SMILES COc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:8|
Show InChI InChI=1S/C25H24ClN3O5/c1-32-17-5-7-21-18(14-17)23(30)28-20(24(31)29-25(15-27)8-9-25)13-16-4-6-22(19(26)12-16)34-11-3-2-10-33-21/h2-7,12,14,20H,8-11,13H2,1H3,(H,28,30)(H,29,31)/b3-2+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.4n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210841
PNG
(US9290467, 11)
Show SMILES Clc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|
Show InChI InChI=1S/C24H23Cl2N3O4/c25-16-4-6-20-17(13-16)22(30)28-19(23(31)29-24(14-27)7-8-24)12-15-3-5-21(18(26)11-15)33-10-2-1-9-32-20/h3-6,11,13,19H,1-2,7-10,12H2,(H,28,30)(H,29,31)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.6n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210861
PNG
(US9290467, 31)
Show SMILES Clc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3I |r|
Show InChI InChI=1S/C24H23ClIN3O4/c25-16-4-6-20-17(13-16)22(30)28-19(23(31)29-24(14-27)7-8-24)12-15-3-5-21(18(26)11-15)33-10-2-1-9-32-20/h3-6,11,13,19H,1-2,7-10,12H2,(H,28,30)(H,29,31)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50578733
PNG
(CHEMBL4875851)
Show SMILES C[C@H]1[C@H](OC(=O)N1Cc1cc(ccc1-c1cc(ccc1Cl)-c1ccc(cc1C)C(O)=O)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50578733
PNG
(CHEMBL4875851)
Show SMILES C[C@H]1[C@H](OC(=O)N1Cc1cc(ccc1-c1cc(ccc1Cl)-c1ccc(cc1C)C(O)=O)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein using exogenous LDL and ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210859
PNG
(US9290467, 29)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc4CCCCc4cc3OCCCCOc1cc2)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C28H30ClN3O4/c29-22-13-18-7-8-24(22)35-11-3-4-12-36-25-16-20-6-2-1-5-19(20)15-21(25)26(33)31-23(14-18)27(34)32-28(17-30)9-10-28/h7-8,13,15-16,23H,1-6,9-12,14H2,(H,31,33)(H,32,34)/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210880
PNG
(US9290467, 50)
Show SMILES Fc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1F)C(=O)NC1(CC1)C#N)cc3Cl |r|
Show InChI InChI=1S/C24H22ClF2N3O4/c25-15-11-14-3-5-18(15)33-9-1-2-10-34-19-6-4-16(26)21(27)20(19)23(32)29-17(12-14)22(31)30-24(13-28)7-8-24/h3-6,11,17H,1-2,7-10,12H2,(H,29,32)(H,30,31)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.5n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210834
PNG
(US9290467, 4)
Show SMILES Clc1cc2C[C@H](NC(=O)c3ccccc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18|
Show InChI InChI=1S/C24H22ClN3O4/c25-18-13-16-7-8-21(18)32-12-4-3-11-31-20-6-2-1-5-17(20)22(29)27-19(14-16)23(30)28-24(15-26)9-10-24/h1-8,13,19H,9-12,14H2,(H,27,29)(H,28,30)/b4-3+/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 13.8n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Procathepsin L


(Homo sapiens (Human))		BDBM210857
PNG
(US9290467, 27)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc4CCCCc4cc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:23|
Show InChI InChI=1S/C28H28ClN3O4/c29-22-13-18-7-8-24(22)35-11-3-4-12-36-25-16-20-6-2-1-5-19(20)15-21(25)26(33)31-23(14-18)27(34)32-28(17-30)9-10-28/h3-4,7-8,13,15-16,23H,1-2,5-6,9-12,14H2,(H,31,33)(H,32,34)/b4-3+/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210862
PNG
(US9290467, 32)
Show SMILES Fc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:7|
Show InChI InChI=1S/C24H21ClFN3O4/c25-18-11-15-3-5-21(18)33-10-2-1-9-32-20-6-4-16(26)13-17(20)22(30)28-19(12-15)23(31)29-24(14-27)7-8-24/h1-6,11,13,19H,7-10,12H2,(H,28,30)(H,29,31)/b2-1+/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50348228
PNG
(CHEMBL1800807)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein using exogenous LDL and ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM264531
PNG
((7R)-7-[3,5- bis(trifluoromethyl)phenyl]- 4-{[4'-f...)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1CN1C(=O)O[C@H](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C11CC1)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C31H25F10NO3/c1-15(2)22-12-23(25(44-3)13-24(22)32)21-5-4-18(29(33,34)35)10-17(21)14-42-27(43)45-26(28(42)6-7-28)16-8-19(30(36,37)38)11-20(9-16)31(39,40)41/h4-5,8-13,15,26H,6-7,14H2,1-3H3/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210879
PNG
(US9290467, 49)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(ccc3OCCCCOc1cc2)C#N)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H23ClN4O4/c26-19-12-16-3-6-22(19)34-10-2-1-9-33-21-5-4-17(14-27)11-18(21)23(31)29-20(13-16)24(32)30-25(15-28)7-8-25/h3-6,11-12,20H,1-2,7-10,13H2,(H,29,31)(H,30,32)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18.3n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50578756
PNG
(CHEMBL4876430)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(Cl)cc(Cl)c1)N(C)C)-c1ccc(cc1C)C(O)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50578737
PNG
(CHEMBL4852134)
Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50423246
PNG
(CHEMBL245568 | SB-649701)
Show SMILES COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1
Show InChI InChI=1S/C27H28N4O3/c1-33-21-6-7-25-23(15-21)22(8-11-28-25)26-17-31(27(32)34-26)20-9-12-30(13-10-20)16-19-14-18-4-2-3-5-24(18)29-19/h2-8,11,14-15,20,26,29H,9-10,12-13,16-17H2,1H3/t26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...

Bioorg Med Chem Lett 17: 1722-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.076
BindingDB Entry DOI: 10.7270/Q2668FG7
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM138247
PNG
(US8871738, 30)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cccc(c1)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C30H26F7NO3/c1-15(2)20-13-22(26(40-3)14-23(20)31)19-8-7-18(30(35,36)37)12-21(19)24-9-10-25-27(41-28(39)38(24)25)16-5-4-6-17(11-16)29(32,33)34/h4-8,11-15,24-25,27H,9-10H2,1-3H3/t24-,25-,27+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50578735
PNG
(CHEMBL4853626)
Show SMILES COc1ccc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210865
PNG
(US9290467, 35)
Show SMILES Fc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|
Show InChI InChI=1S/C24H23ClFN3O4/c25-18-11-15-3-5-21(18)33-10-2-1-9-32-20-6-4-16(26)13-17(20)22(30)28-19(12-15)23(31)29-24(14-27)7-8-24/h3-6,11,13,19H,1-2,7-10,12H2,(H,28,30)(H,29,31)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210838
PNG
(US9290467, 8)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(Br)ccc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:19|
Show InChI InChI=1S/C24H21BrClN3O4/c25-16-4-6-20-17(13-16)22(30)28-19(23(31)29-24(14-27)7-8-24)12-15-3-5-21(18(26)11-15)33-10-2-1-9-32-20/h1-6,11,13,19H,7-10,12H2,(H,28,30)(H,29,31)/b2-1+/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24.8n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50578754
PNG
(CHEMBL4856008)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(Cl)cc(c1)C(F)(F)F)N(C)C)-c1ccc(cc1C)C(O)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50423246
PNG
(CHEMBL245568 | SB-649701)
Show SMILES COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1
Show InChI InChI=1S/C27H28N4O3/c1-33-21-6-7-25-23(15-21)22(8-11-28-25)26-17-31(27(32)34-26)20-9-12-30(13-10-20)16-19-14-18-4-2-3-5-24(18)29-19/h2-8,11,14-15,20,26,29H,9-10,12-13,16-17H2,1H3/t26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...

Bioorg Med Chem Lett 17: 1722-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.076
BindingDB Entry DOI: 10.7270/Q2668FG7
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50348226
PNG
(CHEMBL1800622)
Show SMILES COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C30H26F9NO3/c1-15(2)17-5-8-25(42-4)24(12-17)23-7-6-20(28(31,32)33)11-19(23)14-40-16(3)26(43-27(40)41)18-9-21(29(34,35)36)13-22(10-18)30(37,38)39/h5-13,15-16,26H,14H2,1-4H3/t16-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210872
PNG
(US9290467, 42)
Show SMILES CC(C)(C)OC(=O)N1CC(C1)c1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|
Show InChI InChI=1S/C32H37ClN4O6/c1-31(2,3)43-30(40)37-17-22(18-37)21-7-9-26-23(16-21)28(38)35-25(29(39)36-32(19-34)10-11-32)15-20-6-8-27(24(33)14-20)42-13-5-4-12-41-26/h6-9,14,16,22,25H,4-5,10-13,15,17-18H2,1-3H3,(H,35,38)(H,36,39)/t25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 25.5n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210849
PNG
(US9290467, 19)
Show SMILES Cc1ccc2c(SC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)n1 |r,t:8|
Show InChI InChI=1S/C24H23ClN4O3S/c1-15-4-6-17-21(30)28-19(22(31)29-24(14-26)8-9-24)13-16-5-7-20(18(25)12-16)32-10-2-3-11-33-23(17)27-15/h2-7,12,19H,8-11,13H2,1H3,(H,28,30)(H,29,31)/b3-2+/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210869
PNG
(US9290467, 39)
Show SMILES CC(C)(C)OC(=O)N1CC(C1)c1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:18|
Show InChI InChI=1S/C32H35ClN4O6/c1-31(2,3)43-30(40)37-17-22(18-37)21-7-9-26-23(16-21)28(38)35-25(29(39)36-32(19-34)10-11-32)15-20-6-8-27(24(33)14-20)42-13-5-4-12-41-26/h4-9,14,16,22,25H,10-13,15,17-18H2,1-3H3,(H,35,38)(H,36,39)/b5-4+/t25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 26.2n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50578770
PNG
(CHEMBL4859118)
Show SMILES COc1ccc(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccccc1C |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein using exogenous LDL and ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))		BDBM50444316
PNG
(CHEMBL3093933)
Show SMILES O=C(NC1(CC1)C#N)[C@@H]1C[C@H](CN1C(=O)c1ccccc1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H21N3O4S/c23-15-22(11-12-22)24-20(26)19-13-18(30(28,29)17-9-5-2-6-10-17)14-25(19)21(27)16-7-3-1-4-8-16/h1-10,18-19H,11-14H2,(H,24,26)/t18-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Pharma Research and Early

Curated by ChEMBL


Assay Description
Inhibition of mouse cathepsin-S using Z-Val-Val-Arg-AMC as substrate up to 20 mins by fluorescence assay

J Med Chem 56: 9789-801 (2014)


Article DOI: 10.1021/jm401528k
BindingDB Entry DOI: 10.7270/Q2N58NTW
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 225 total )  |  Next  |  Last  >>
Jump to: