new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 472 hits with Last Name = 'harris' and Initial = 'pk'   
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
Matriptase


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.0200n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
BindingDB Entry DOI: 10.7270/Q23F4RB4
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.0200n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032934
PNG
(CHEMBL3356591)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C33H46N10O6S/c1-18(2)15-25(30(48)41-23(9-6-12-38-33(35)36)28(46)32-37-13-14-50-32)43-29(47)24(10-11-27(34)45)42-31(49)26(40-19(3)44)16-20-17-39-22-8-5-4-7-21(20)22/h4-5,7-8,13-14,17-18,23-26,39H,6,9-12,15-16H2,1-3H3,(H2,34,45)(H,40,44)(H,41,48)(H,42,49)(H,43,47)(H4,35,36,38)/t23-,24-,25-,26-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.210n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032999
PNG
(CHEMBL3356597)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C34H50N12O5S/c1-19(2)16-26(30(50)44-24(10-6-12-40-33(35)36)28(48)32-39-14-15-52-32)46-29(49)25(11-7-13-41-34(37)38)45-31(51)27(43-20(3)47)17-21-18-42-23-9-5-4-8-22(21)23/h4-5,8-9,14-15,18-19,24-27,42H,6-7,10-13,16-17H2,1-3H3,(H,43,47)(H,44,50)(H,45,51)(H,46,49)(H4,35,36,40)(H4,37,38,41)/t24-,25-,26-,27-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.210n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032936
PNG
(CHEMBL3356589)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C28H48N10O6S/c1-16(2)15-21(26(44)36-18(8-6-12-34-28(31)32)23(41)27-33-13-14-45-27)38-25(43)20(9-10-22(30)40)37-24(42)19(35-17(3)39)7-4-5-11-29/h13-14,16,18-21H,4-12,15,29H2,1-3H3,(H2,30,40)(H,35,39)(H,36,44)(H,37,42)(H,38,43)(H4,31,32,34)/t18-,19-,20-,21-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.220n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032931
PNG
(CHEMBL3356594)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C28H48N12O6S/c1-15(2)14-20(25(46)38-17(6-4-10-35-27(30)31)22(43)26-34-12-13-47-26)40-24(45)19(8-9-21(29)42)39-23(44)18(37-16(3)41)7-5-11-36-28(32)33/h12-13,15,17-20H,4-11,14H2,1-3H3,(H2,29,42)(H,37,41)(H,38,46)(H,39,44)(H,40,45)(H4,30,31,35)(H4,32,33,36)/t17-,18-,19-,20-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.280n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50032931
PNG
(CHEMBL3356594)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C28H48N12O6S/c1-15(2)14-20(25(46)38-17(6-4-10-35-27(30)31)22(43)26-34-12-13-47-26)40-24(45)19(8-9-21(29)42)39-23(44)18(37-16(3)41)7-5-11-36-28(32)33/h12-13,15,17-20H,4-11,14H2,1-3H3,(H2,29,42)(H,37,41)(H,38,46)(H,39,44)(H,40,45)(H4,30,31,35)(H4,32,33,36)/t17-,18-,19-,20-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.320n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032930
PNG
(CHEMBL3356595)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C25H41N9O7S/c1-13(2)11-17(22(40)32-15(5-4-8-30-25(27)28)20(38)24-29-9-10-42-24)34-21(39)16(6-7-19(26)37)33-23(41)18(12-35)31-14(3)36/h9-10,13,15-18,35H,4-8,11-12H2,1-3H3,(H2,26,37)(H,31,36)(H,32,40)(H,33,41)(H,34,39)(H4,27,28,30)/t15-,16-,17-,18-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032935
PNG
(CHEMBL3356590)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C29H47N11O5S/c1-17(2)13-22(26(44)38-20(8-6-10-35-29(31)32)24(42)28-34-11-12-46-28)39-27(45)23(14-19-15-33-16-36-19)40-25(43)21(37-18(3)41)7-4-5-9-30/h11-12,15-17,20-23H,4-10,13-14,30H2,1-3H3,(H,33,36)(H,37,41)(H,38,44)(H,39,45)(H,40,43)(H4,31,32,35)/t20-,21-,22-,23-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.410n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032947
PNG
(CHEMBL3356606)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C29H52N12O5S/c1-17(2)16-22(26(46)39-19(9-6-12-36-28(31)32)23(43)27-35-14-15-47-27)41-25(45)21(8-4-5-11-30)40-24(44)20(38-18(3)42)10-7-13-37-29(33)34/h14-15,17,19-22H,4-13,16,30H2,1-3H3,(H,38,42)(H,39,46)(H,40,44)(H,41,45)(H4,31,32,36)(H4,33,34,37)/t19-,20-,21-,22-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.470n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.530n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.530n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
BindingDB Entry DOI: 10.7270/Q23F4RB4
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032941
PNG
(CHEMBL3356600)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C34H50N10O5S/c1-20(2)17-27(31(48)42-25(12-8-14-39-34(36)37)29(46)33-38-15-16-50-33)44-30(47)26(11-6-7-13-35)43-32(49)28(41-21(3)45)18-22-19-40-24-10-5-4-9-23(22)24/h4-5,9-10,15-16,19-20,25-28,40H,6-8,11-14,17-18,35H2,1-3H3,(H,41,45)(H,42,48)(H,43,49)(H,44,47)(H4,36,37,39)/t25-,26-,27-,28-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.550n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032991
PNG
(CHEMBL3356596)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C29H52N12O5S/c1-17(2)16-22(26(46)39-19(9-6-12-36-28(31)32)23(43)27-35-14-15-47-27)41-25(45)21(10-7-13-37-29(33)34)40-24(44)20(38-18(3)42)8-4-5-11-30/h14-15,17,19-22H,4-13,16,30H2,1-3H3,(H,38,42)(H,39,46)(H,40,44)(H,41,45)(H4,31,32,36)(H4,33,34,37)/t19-,20-,21-,22-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.570n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032933
PNG
(CHEMBL3356592)
Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C31H46N10O6S/c1-19(42)38-22(10-5-6-14-32)27(45)40-23(12-13-25(33)43)28(46)41-24(18-20-8-3-2-4-9-20)29(47)39-21(11-7-15-37-31(34)35)26(44)30-36-16-17-48-30/h2-4,8-9,16-17,21-24H,5-7,10-15,18,32H2,1H3,(H2,33,43)(H,38,42)(H,39,47)(H,40,45)(H,41,46)(H4,34,35,37)/t21-,22-,23-,24-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.580n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50306993
PNG
((S)-4-(4-(4-(ethylcarbamoyl)piperidin-1-yl)-6-phen...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NCC |r|
Show InChI InChI=1S/C35H48N6O7/c1-3-5-9-22-48-35(47)41-20-18-40(19-21-41)34(46)28(12-13-31(42)43)38-33(45)30-24-27(23-29(37-30)25-10-7-6-8-11-25)39-16-14-26(15-17-39)32(44)36-4-2/h6-8,10-11,23-24,26,28H,3-5,9,12-22H2,1-2H3,(H,36,44)(H,38,45)(H,42,43)/t28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.580n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1388-94 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032940
PNG
(CHEMBL3356599)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C26H40N10O6S/c1-14(2)9-18(22(40)34-17(5-4-6-31-26(27)28)21(39)25-30-7-8-43-25)35-23(41)19(10-16-11-29-13-32-16)36-24(42)20(12-37)33-15(3)38/h7-8,11,13-14,17-20,37H,4-6,9-10,12H2,1-3H3,(H,29,32)(H,33,38)(H,34,40)(H,35,41)(H,36,42)(H4,27,28,31)/t17-,18-,19-,20-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032945
PNG
(CHEMBL3356604)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C27H47N9O6S/c1-15(2)14-20(24(41)34-18(9-7-11-32-27(29)30)22(39)26-31-12-13-43-26)36-23(40)19(8-5-6-10-28)35-25(42)21(16(3)37)33-17(4)38/h12-13,15-16,18-21,37H,5-11,14,28H2,1-4H3,(H,33,38)(H,34,41)(H,35,42)(H,36,40)(H4,29,30,32)/t16-,18+,19+,20+,21+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.610n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50306935
PNG
((S)-4-(4-(3-carbamoylazetidin-1-yl)-6-phenylpicoli...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CC(C1)C(N)=O |r|
Show InChI InChI=1S/C31H40N6O7/c1-2-3-7-16-44-31(43)36-14-12-35(13-15-36)30(42)24(10-11-27(38)39)34-29(41)26-18-23(37-19-22(20-37)28(32)40)17-25(33-26)21-8-5-4-6-9-21/h4-6,8-9,17-18,22,24H,2-3,7,10-16,19-20H2,1H3,(H2,32,40)(H,34,41)(H,38,39)/t24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.640n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1388-94 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032944
PNG
(CHEMBL3356603)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C26H45N11O6S/c1-14(2)12-18(22(42)35-16(6-4-8-32-25(27)28)20(40)24-31-10-11-44-24)37-21(41)17(7-5-9-33-26(29)30)36-23(43)19(13-38)34-15(3)39/h10-11,14,16-19,38H,4-9,12-13H2,1-3H3,(H,34,39)(H,35,42)(H,36,43)(H,37,41)(H4,27,28,32)(H4,29,30,33)/t16-,17-,18-,19-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.680n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302697
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NCC |r|
Show InChI InChI=1S/C34H46N6O7/c1-3-5-21-47-34(46)40-19-17-39(18-20-40)33(45)27(11-12-30(41)42)37-32(44)29-23-26(22-28(36-29)24-9-7-6-8-10-24)38-15-13-25(14-16-38)31(43)35-4-2/h6-10,22-23,25,27H,3-5,11-21H2,1-2H3,(H,35,43)(H,37,44)(H,41,42)/t27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.680n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1388-94 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50032933
PNG
(CHEMBL3356592)
Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C31H46N10O6S/c1-19(42)38-22(10-5-6-14-32)27(45)40-23(12-13-25(33)43)28(46)41-24(18-20-8-3-2-4-9-20)29(47)39-21(11-7-15-37-31(34)35)26(44)30-36-16-17-48-30/h2-4,8-9,16-17,21-24H,5-7,10-15,18,32H2,1H3,(H2,33,43)(H,38,42)(H,39,47)(H,40,45)(H,41,46)(H4,34,35,37)/t21-,22-,23-,24-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.690n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50306996
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2=O)CC1 |r|
Show InChI InChI=1S/C36H48N6O7/c1-2-3-22-49-36(48)41-20-18-40(19-21-41)35(47)29(11-12-33(44)45)38-34(46)31-24-28(23-30(37-31)27-8-5-4-6-9-27)39-16-13-26(14-17-39)25-42-15-7-10-32(42)43/h4-6,8-9,23-24,26,29H,2-3,7,10-22,25H2,1H3,(H,38,46)(H,44,45)/t29-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.790n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1388-94 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50032947
PNG
(CHEMBL3356606)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C29H52N12O5S/c1-17(2)16-22(26(46)39-19(9-6-12-36-28(31)32)23(43)27-35-14-15-47-27)41-25(45)21(8-4-5-11-30)40-24(44)20(38-18(3)42)10-7-13-37-29(33)34/h14-15,17,19-22H,4-13,16,30H2,1-3H3,(H,38,42)(H,39,46)(H,40,44)(H,41,45)(H4,31,32,36)(H4,33,34,37)/t19-,20-,21-,22-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.830n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50032936
PNG
(CHEMBL3356589)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C28H48N10O6S/c1-16(2)15-21(26(44)36-18(8-6-12-34-28(31)32)23(41)27-33-13-14-45-27)38-25(43)20(9-10-22(30)40)37-24(42)19(35-17(3)39)7-4-5-11-29/h13-14,16,18-21H,4-12,15,29H2,1-3H3,(H2,30,40)(H,35,39)(H,36,44)(H,37,42)(H,38,43)(H4,31,32,34)/t18-,19-,20-,21-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.920n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50306989
PNG
((S)-4-(4-(4-(dimethylcarbamoyl)piperidin-1-yl)-6-p...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(C)C |r|
Show InChI InChI=1S/C35H48N6O7/c1-4-5-9-22-48-35(47)41-20-18-40(19-21-41)34(46)28(12-13-31(42)43)37-32(44)30-24-27(23-29(36-30)25-10-7-6-8-11-25)39-16-14-26(15-17-39)33(45)38(2)3/h6-8,10-11,23-24,26,28H,4-5,9,12-22H2,1-3H3,(H,37,44)(H,42,43)/t28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.980n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1388-94 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307602
PNG
((4S)-4-[({4-[3-(Dimethylamino)propyl]-6-phenylpyri...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCCN(C)C)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H45N5O6/c1-4-5-9-21-43-32(42)37-19-17-36(18-20-37)31(41)26(14-15-29(38)39)34-30(40)28-23-24(11-10-16-35(2)3)22-27(33-28)25-12-7-6-8-13-25/h6-8,12-13,22-23,26H,4-5,9-11,14-21H2,1-3H3,(H,34,40)(H,38,39)/t26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50032991
PNG
(CHEMBL3356596)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C29H52N12O5S/c1-17(2)16-22(26(46)39-19(9-6-12-36-28(31)32)23(43)27-35-14-15-47-27)41-25(45)21(10-7-13-37-29(33)34)40-24(44)20(38-18(3)42)8-4-5-11-30/h14-15,17,19-22H,4-13,16,30H2,1-3H3,(H,38,42)(H,39,46)(H,40,44)(H,41,45)(H4,31,32,36)(H4,33,34,37)/t19-,20-,21-,22-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50306987
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(CC)CC |r|
Show InChI InChI=1S/C36H50N6O7/c1-4-7-23-49-36(48)42-21-19-41(20-22-42)35(47)29(13-14-32(43)44)38-33(45)31-25-28(24-30(37-31)26-11-9-8-10-12-26)40-17-15-27(16-18-40)34(46)39(5-2)6-3/h8-12,24-25,27,29H,4-7,13-23H2,1-3H3,(H,38,45)(H,43,44)/t29-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1388-94 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307002
PNG
((4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-y...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1 |r|
Show InChI InChI=1S/C37H52N6O6/c1-2-3-9-24-49-37(48)43-22-20-42(21-23-43)36(47)31(12-13-34(44)45)39-35(46)33-26-30(25-32(38-33)29-10-5-4-6-11-29)41-18-14-28(15-19-41)27-40-16-7-8-17-40/h4-6,10-11,25-26,28,31H,2-3,7-9,12-24,27H2,1H3,(H,39,46)(H,44,45)/t31-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1388-94 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307002
PNG
((4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-y...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1 |r|
Show InChI InChI=1S/C37H52N6O6/c1-2-3-9-24-49-37(48)43-22-20-42(21-23-43)36(47)31(12-13-34(44)45)39-35(46)33-26-30(25-32(38-33)29-10-5-4-6-11-29)41-18-14-28(15-19-41)27-40-16-7-8-17-40/h4-6,10-11,25-26,28,31H,2-3,7-9,12-24,27H2,1H3,(H,39,46)(H,44,45)/t31-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032946
PNG
(CHEMBL3356605)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C31H43N9O6S/c1-17(2)13-23(27(44)38-22(9-6-10-35-31(32)33)26(43)30-34-11-12-47-30)39-28(45)24(40-29(46)25(16-41)37-18(3)42)14-19-15-36-21-8-5-4-7-20(19)21/h4-5,7-8,11-12,15,17,22-25,36,41H,6,9-10,13-14,16H2,1-3H3,(H,37,42)(H,38,44)(H,39,45)(H,40,46)(H4,32,33,35)/t22-,23-,24-,25-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032939
PNG
(CHEMBL3356598)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C26H45N9O6S/c1-15(2)13-19(23(40)33-17(8-6-10-31-26(28)29)21(38)25-30-11-12-42-25)35-22(39)18(7-4-5-9-27)34-24(41)20(14-36)32-16(3)37/h11-12,15,17-20,36H,4-10,13-14,27H2,1-3H3,(H,32,37)(H,33,40)(H,34,41)(H,35,39)(H4,28,29,31)/t17-,18-,19-,20-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50306984
PNG
((S)-4-(4-(4-(azetidine-1-carbonyl)piperidin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCC1 |r|
Show InChI InChI=1S/C36H48N6O7/c1-2-3-7-23-49-36(48)42-21-19-41(20-22-42)35(47)29(11-12-32(43)44)38-33(45)31-25-28(24-30(37-31)26-9-5-4-6-10-26)39-17-13-27(14-18-39)34(46)40-15-8-16-40/h4-6,9-10,24-25,27,29H,2-3,7-8,11-23H2,1H3,(H,38,45)(H,43,44)/t29-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1388-94 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307603
PNG
((4S)4-[({4-[(1-Acetylpiperidin-4-yl)ethoxy]-6-phen...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(CC2)C(C)=O)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H47N5O8/c1-3-4-8-21-47-35(46)40-19-17-39(18-20-40)34(45)29(11-12-32(42)43)37-33(44)31-23-28(22-30(36-31)27-9-6-5-7-10-27)48-24-26-13-15-38(16-14-26)25(2)41/h5-7,9-10,22-23,26,29H,3-4,8,11-21,24H2,1-2H3,(H,37,44)(H,42,43)/t29-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307604
PNG
((4S)4-{[(4-{[1-(Ethoxycarbonyl)piperidin-4-yl]meth...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(CC2)C(=O)OCC)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C36H49N5O9/c1-3-5-9-22-49-36(47)41-20-18-39(19-21-41)34(45)29(12-13-32(42)43)38-33(44)31-24-28(23-30(37-31)27-10-7-6-8-11-27)50-25-26-14-16-40(17-15-26)35(46)48-4-2/h6-8,10-11,23-24,26,29H,3-5,9,12-22,25H2,1-2H3,(H,38,44)(H,42,43)/t29-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307557
PNG
((4S)4-{[(4-{[(2-Methoxyethoxy)carbonyl]amino}-6-ph...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)OCCOC)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H49N5O9/c1-6-7-11-20-48-34(45)40-18-16-39(17-19-40)32(43)27(14-15-30(41)49-35(2,3)4)38-31(42)29-24-26(36-33(44)47-22-21-46-5)23-28(37-29)25-12-9-8-10-13-25/h8-10,12-13,23-24,27H,6-7,11,14-22H2,1-5H3,(H,38,42)(H,36,37,44)/t27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307556
PNG
((4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)NCC2CCNCC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C38H55N7O7/c1-5-6-10-23-51-37(50)45-21-19-44(20-22-45)35(48)30(13-14-33(46)52-38(2,3)4)43-34(47)32-25-29(24-31(42-32)28-11-8-7-9-12-28)41-36(49)40-26-27-15-17-39-18-16-27/h7-9,11-12,24-25,27,30,39H,5-6,10,13-23,26H2,1-4H3,(H,43,47)(H2,40,41,42,49)/t30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50306941
PNG
((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CC[C@H](C1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C36H48N6O7/c1-2-3-9-22-49-36(48)41-20-18-40(19-21-41)35(47)29(12-13-32(43)44)38-33(45)31-24-28(23-30(37-31)26-10-5-4-6-11-26)42-17-14-27(25-42)34(46)39-15-7-8-16-39/h4-6,10-11,23-24,27,29H,2-3,7-9,12-22,25H2,1H3,(H,38,45)(H,43,44)/t27-,29+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1388-94 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50032943
PNG
(CHEMBL3356602)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C27H46N10O6S/c1-15(2)13-19(24(42)35-17(8-6-10-33-27(30)31)22(40)26-32-11-12-44-26)37-23(41)18(7-4-5-9-28)36-25(43)20(14-21(29)39)34-16(3)38/h11-12,15,17-20H,4-10,13-14,28H2,1-3H3,(H2,29,39)(H,34,38)(H,35,42)(H,36,43)(H,37,41)(H4,30,31,33)/t17-,18-,19-,20-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307663
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-({[4-({...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N2CCC(C2)OC)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H41N5O9/c1-3-4-18-45-31(42)36-16-14-35(15-17-36)30(41)25(10-11-28(38)39)34-29(40)27-20-24(19-26(33-27)22-8-6-5-7-9-22)46-32(43)37-13-12-23(21-37)44-2/h5-9,19-20,23,25H,3-4,10-18,21H2,1-2H3,(H,34,40)(H,38,39)/t23?,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307010
PNG
((4S)4-{[(4-{4-[(Methylamino)ethyl]piperidin-1-yl}-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNC)CC1 |r|
Show InChI InChI=1S/C34H48N6O6/c1-3-4-8-21-46-34(45)40-19-17-39(18-20-40)33(44)28(11-12-31(41)42)37-32(43)30-23-27(38-15-13-25(14-16-38)24-35-2)22-29(36-30)26-9-6-5-7-10-26/h5-7,9-10,22-23,25,28,35H,3-4,8,11-21,24H2,1-2H3,(H,37,43)(H,41,42)/t28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307662
PNG
((4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-4-({[4-({[...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)CC2CCOCC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H45N5O9/c1-3-4-18-47-34(45)39-16-14-38(15-17-39)32(43)27(10-11-30(40)41)36-31(42)29-22-26(21-28(35-29)25-8-6-5-7-9-25)48-33(44)37(2)23-24-12-19-46-20-13-24/h5-9,21-22,24,27H,3-4,10-20,23H2,1-2H3,(H,36,42)(H,40,41)/t27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307010
PNG
((4S)4-{[(4-{4-[(Methylamino)ethyl]piperidin-1-yl}-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNC)CC1 |r|
Show InChI InChI=1S/C34H48N6O6/c1-3-4-8-21-46-34(45)40-19-17-39(18-20-40)33(44)28(11-12-31(41)42)37-32(43)30-23-27(38-15-13-25(14-16-38)24-35-2)22-29(36-30)26-9-6-5-7-10-26/h5-7,9-10,22-23,25,28,35H,3-4,8,11-21,24H2,1-2H3,(H,37,43)(H,41,42)/t28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1388-94 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307003
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-5-oxo-4-[...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1 |r|
Show InChI InChI=1S/C36H50N6O6/c1-2-3-23-48-36(47)42-21-19-41(20-22-42)35(46)30(11-12-33(43)44)38-34(45)32-25-29(24-31(37-32)28-9-5-4-6-10-28)40-17-13-27(14-18-40)26-39-15-7-8-16-39/h4-6,9-10,24-25,27,30H,2-3,7-8,11-23,26H2,1H3,(H,38,45)(H,43,44)/t30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1388-94 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307008
PNG
((S)-4-(4-(4-((ethylamino)methyl)piperidin-1-yl)-6-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNCC)CC1 |r|
Show InChI InChI=1S/C35H50N6O6/c1-3-5-9-22-47-35(46)41-20-18-40(19-21-41)34(45)29(12-13-32(42)43)38-33(44)31-24-28(23-30(37-31)27-10-7-6-8-11-27)39-16-14-26(15-17-39)25-36-4-2/h6-8,10-11,23-24,26,29,36H,3-5,9,12-22,25H2,1-2H3,(H,38,44)(H,42,43)/t29-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1388-94 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307003
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-5-oxo-4-[...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1 |r|
Show InChI InChI=1S/C36H50N6O6/c1-2-3-23-48-36(47)42-21-19-41(20-22-42)35(46)30(11-12-33(43)44)38-34(45)32-25-29(24-31(37-32)28-9-5-4-6-10-28)40-17-13-27(14-18-40)26-39-15-7-8-16-39/h4-6,9-10,24-25,27,30H,2-3,7-8,11-23,26H2,1H3,(H,38,45)(H,43,44)/t30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307665
PNG
((4S)-4-[({4-[(4-Acetylpiperazin-1-yl)carbonyl]-6-p...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C34H44N6O8/c1-3-4-8-21-48-34(47)40-19-17-39(18-20-40)33(46)27(11-12-30(42)43)36-31(44)29-23-26(22-28(35-29)25-9-6-5-7-10-25)32(45)38-15-13-37(14-16-38)24(2)41/h5-7,9-10,22-23,27H,3-4,8,11-21H2,1-2H3,(H,36,44)(H,42,43)/t27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307664
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-[({4-[(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N2CCOCC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H39N5O9/c1-2-3-17-44-30(41)35-13-11-34(12-14-35)29(40)24(9-10-27(37)38)33-28(39)26-21-23(45-31(42)36-15-18-43-19-16-36)20-25(32-26)22-7-5-4-6-8-22/h4-8,20-21,24H,2-3,9-19H2,1H3,(H,33,39)(H,37,38)/t24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307558
PNG
((4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)OCC2CCNCC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C38H54N6O8/c1-5-6-10-23-50-37(49)44-21-19-43(20-22-44)35(47)30(13-14-33(45)52-38(2,3)4)42-34(46)32-25-29(24-31(41-32)28-11-8-7-9-12-28)40-36(48)51-26-27-15-17-39-18-16-27/h7-9,11-12,24-25,27,30,39H,5-6,10,13-23,26H2,1-4H3,(H,42,46)(H,40,41,48)/t30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 472 total )  |  Next  |  Last  >>
Jump to: