Found 252 hits with Last Name = 'palamanda' and Initial = 'j' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50468040
(CHEMBL4289763)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(C)n1 |r| Show InChI InChI=1S/C23H20FN7OS/c1-13-18(24)9-27-22(28-13)31-10-17-20(32)30(2)21(26)29-23(17,12-31)19-7-16(11-33-19)15-5-3-4-14(6-15)8-25/h3-7,9,11,17H,10,12H2,1-2H3,(H2,26,29)/t17-,23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50468037
(CHEMBL4293298)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1nc(C)c(F)c(OC)n1 |r| Show InChI InChI=1S/C24H22FN7O2S/c1-13-19(25)20(34-3)29-23(28-13)32-10-17-21(33)31(2)22(27)30-24(17,12-32)18-8-16(11-35-18)15-6-4-5-14(7-15)9-26/h4-8,11,17H,10,12H2,1-3H3,(H2,27,30)/t17-,24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50164512
(CHEMBL3800286)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(OC)n1 |r| Show InChI InChI=1S/C23H20FN7O2S/c1-30-20(32)16-10-31(22-27-9-17(24)19(28-22)33-2)12-23(16,29-21(30)26)18-7-15(11-34-18)14-5-3-4-13(6-14)8-25/h3-7,9,11,16H,10,12H2,1-2H3,(H2,26,29)/t16-,23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50468038
(CHEMBL4294236)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(OCC)n1 |r| Show InChI InChI=1S/C24H22FN7O2S/c1-3-34-20-18(25)10-28-23(29-20)32-11-17-21(33)31(2)22(27)30-24(17,13-32)19-8-16(12-35-19)15-6-4-5-14(7-15)9-26/h4-8,10,12,17H,3,11,13H2,1-2H3,(H2,27,30)/t17-,24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50468044
(CHEMBL4279084)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(CC)n1 |r| Show InChI InChI=1S/C24H22FN7OS/c1-3-19-18(25)10-28-23(29-19)32-11-17-21(33)31(2)22(27)30-24(17,13-32)20-8-16(12-34-20)15-6-4-5-14(7-15)9-26/h4-8,10,12,17H,3,11,13H2,1-2H3,(H2,27,30)/t17-,24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50468046
(CHEMBL4278154)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(n1)N1CCOCC1 |r| Show InChI InChI=1S/C26H25FN8O2S/c1-33-23(36)19-13-35(25-30-12-20(27)22(31-25)34-5-7-37-8-6-34)15-26(19,32-24(33)29)21-10-18(14-38-21)17-4-2-3-16(9-17)11-28/h2-4,9-10,12,14,19H,5-8,13,15H2,1H3,(H2,29,32)/t19-,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50468048
(CHEMBL4280271)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(Cl)c1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C21H18ClFN6OS/c1-28-18(30)16-9-29(20-25-7-15(23)8-26-20)11-21(16,27-19(28)24)17-6-13(10-31-17)12-3-2-4-14(22)5-12/h2-8,10,16H,9,11H2,1H3,(H2,24,27)/t16-,21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50468039
(CHEMBL4278329)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cc(OC)cc(c1)C#N)c1ncc(F)cn1 |r| Show InChI InChI=1S/C23H20FN7O2S/c1-30-20(32)18-10-31(22-27-8-16(24)9-28-22)12-23(18,29-21(30)26)19-6-15(11-34-19)14-3-13(7-25)4-17(5-14)33-2/h3-6,8-9,11,18H,10,12H2,1-2H3,(H2,26,29)/t18-,23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50468047
(CHEMBL4278011)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(OCCC)n1 |r| Show InChI InChI=1S/C25H24FN7O2S/c1-3-7-35-21-19(26)11-29-24(30-21)33-12-18-22(34)32(2)23(28)31-25(18,14-33)20-9-17(13-36-20)16-6-4-5-15(8-16)10-27/h4-6,8-9,11,13,18H,3,7,12,14H2,1-2H3,(H2,28,31)/t18-,25-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50468043
(CHEMBL4288838)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1nc(C)c(F)c(C)n1 |r| Show InChI InChI=1S/C24H22FN7OS/c1-13-20(25)14(2)29-23(28-13)32-10-18-21(33)31(3)22(27)30-24(18,12-32)19-8-17(11-34-19)16-6-4-5-15(7-16)9-26/h4-8,11,18H,10,12H2,1-3H3,(H2,27,30)/t18-,24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261110
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23| Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human PAR1 in HCASMC assessed as inhibition of thrombin-induced calcium efflux |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50260518
(CHEMBL442649 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(c2)C#N)C1 |r,w:21.23| Show InChI InChI=1S/C30H33N3O4/c1-3-36-30(35)33-24-10-11-25-22(14-24)15-27-28(18(2)37-29(27)34)26(25)12-9-23-8-7-21(17-32-23)20-6-4-5-19(13-20)16-31/h4-9,12-13,17-18,22,24-28H,3,10-11,14-15H2,1-2H3,(H,33,35)/t18-,22+,24-,25-,26+,27-,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50468045
(CHEMBL4288644)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cc(F)cc(c1)C#N)c1ncc(F)cn1 |r| Show InChI InChI=1S/C22H17F2N7OS/c1-30-19(32)17-9-31(21-27-7-16(24)8-28-21)11-22(17,29-20(30)26)18-5-14(10-33-18)13-2-12(6-25)3-15(23)4-13/h2-5,7-8,10,17H,9,11H2,1H3,(H2,26,29)/t17-,22-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50468035
(CHEMBL4285940)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(n1)N1CCCC1 |r| Show InChI InChI=1S/C26H25FN8OS/c1-33-23(36)19-13-35(25-30-12-20(27)22(31-25)34-7-2-3-8-34)15-26(19,32-24(33)29)21-10-18(14-37-21)17-6-4-5-16(9-17)11-28/h4-6,9-10,12,14,19H,2-3,7-8,13,15H2,1H3,(H2,29,32)/t19-,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261116
(CHEMBL453277 | ethyl methyl((1R,3aR,4aR,6R,8aR,9S,...)Show SMILES CCOC(=O)N(C)[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1 |r| Show InChI InChI=1S/C31H35F3N2O4/c1-4-39-30(38)36(3)24-11-13-25-21(15-24)16-27-28(18(2)40-29(27)37)26(25)12-10-23-9-8-20(17-35-23)19-6-5-7-22(14-19)31(32,33)34/h5-10,12,14,17-18,21,24-28H,4,11,13,15-16H2,1-3H3/b12-10+/t18-,21+,24-,25-,26+,27-,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50398693
(CHEMBL2178718)Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)cn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3| Show InChI InChI=1S/C22H18FN7OS/c1-29-19(31)17-10-30(21-26-8-16(23)9-27-21)12-22(17,28-20(29)25)18-6-15(11-32-18)14-4-2-3-13(5-14)7-24/h2-6,8-9,11,17H,10,12H2,1H3,(H2,25,28)/t17-,22-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50468036
(CHEMBL4286732)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1ccc(F)c(c1)C#N)c1ncc(F)cn1 |r| Show InChI InChI=1S/C22H17F2N7OS/c1-30-19(32)16-9-31(21-27-7-15(23)8-28-21)11-22(16,29-20(30)26)18-5-14(10-33-18)12-2-3-17(24)13(4-12)6-25/h2-5,7-8,10,16H,9,11H2,1H3,(H2,26,29)/t16-,22-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261114
(CHEMBL500551 | Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9...)Show SMILES CCOC(=O)N(C)[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 |r| Show InChI InChI=1S/C30H35FN2O4/c1-4-36-30(35)33(3)24-11-13-25-21(15-24)16-27-28(18(2)37-29(27)34)26(25)12-10-23-9-8-20(17-32-23)19-6-5-7-22(31)14-19/h5-10,12,14,17-18,21,24-28H,4,11,13,15-16H2,1-3H3/b12-10+/t18-,21+,24-,25-,26+,27-,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50222015
((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-3-oxo-9...)Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 Show InChI InChI=1S/C28H31FN2O4/c1-3-34-28(33)31-12-11-23-20(16-31)14-25-26(17(2)35-27(25)32)24(23)10-9-22-8-7-19(15-30-22)18-5-4-6-21(29)13-18/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3/b10-9+/t17-,20-,23-,24+,25-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane |
J Med Chem 50: 5147-60 (2007)
Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261061
(CHEMBL493633 | N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E...)Show SMILES CNC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:20.22| Show InChI InChI=1S/C28H32FN3O3/c1-16-26-24(11-8-21-7-6-18(15-31-21)17-4-3-5-20(29)12-17)23-10-9-22(32-28(34)30-2)13-19(23)14-25(26)27(33)35-16/h3-8,11-12,15-16,19,22-26H,9-10,13-14H2,1-2H3,(H2,30,32,34)/t16-,19+,22-,23-,24+,25-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261062
(1-ethyl-3-((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(5-...)Show SMILES CCNC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23| Show InChI InChI=1S/C29H34FN3O3/c1-3-31-29(35)33-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)34)25(24)12-9-22-8-7-19(16-32-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H2,31,33,35)/t17-,20+,23-,24-,25+,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50260520
(CHEMBL458264 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cc(F)cc(F)c2)C1 |r,w:21.23| Show InChI InChI=1S/C29H32F2N2O4/c1-3-36-29(35)33-23-7-8-24-19(12-23)13-26-27(16(2)37-28(26)34)25(24)9-6-22-5-4-17(15-32-22)18-10-20(30)14-21(31)11-18/h4-6,9-11,14-16,19,23-27H,3,7-8,12-13H2,1-2H3,(H,33,35)/t16-,19+,23-,24-,25+,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261117
(CHEMBL446344 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(OC)c2)C1 |r,w:21.23| Show InChI InChI=1S/C30H36N2O5/c1-4-36-30(34)32-23-11-12-25-21(14-23)16-27-28(18(2)37-29(27)33)26(25)13-10-22-9-8-20(17-31-22)19-6-5-7-24(15-19)35-3/h5-10,13,15,17-18,21,23,25-28H,4,11-12,14,16H2,1-3H3,(H,32,34)/t18-,21+,23-,25-,26+,27-,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50398687
(CHEMBL2178714)Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3| Show InChI InChI=1S/C23H19FN6OS/c1-29-21(31)18-11-30(20-6-5-17(24)10-27-20)13-23(18,28-22(29)26)19-8-16(12-32-19)15-4-2-3-14(7-15)9-25/h2-8,10,12,18H,11,13H2,1H3,(H2,26,28)/t18-,23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261111
(CHEMBL493983 | methyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9...)Show SMILES COC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:20.22| Show InChI InChI=1S/C28H31FN2O4/c1-16-26-24(11-8-21-7-6-18(15-30-21)17-4-3-5-20(29)12-17)23-10-9-22(31-28(33)34-2)13-19(23)14-25(26)27(32)35-16/h3-8,11-12,15-16,19,22-26H,9-10,13-14H2,1-2H3,(H,31,33)/t16-,19+,22-,23-,24+,25-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261060
(CHEMBL493632 | N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)NC(C)=O |r| Show InChI InChI=1S/C28H31FN2O3/c1-16-27-25(11-8-22-7-6-19(15-30-22)18-4-3-5-21(29)12-18)24-10-9-23(31-17(2)32)13-20(24)14-26(27)28(33)34-16/h3-8,11-12,15-16,20,23-27H,9-10,13-14H2,1-2H3,(H,31,32)/b11-8+/t16-,20+,23-,24-,25+,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261017
(CHEMBL493792 | N-((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E...)Show SMILES CCC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 |r| Show InChI InChI=1S/C29H33FN2O3/c1-3-27(33)32-23-10-11-24-20(14-23)15-26-28(17(2)35-29(26)34)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-26,28H,3,10-11,14-15H2,1-2H3,(H,32,33)/b12-9+/t17-,20+,23-,24-,25+,26-,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261018
(CHEMBL494618 | N-((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)NC(=O)C1CC1 |r| Show InChI InChI=1S/C30H33FN2O3/c1-17-28-26(12-9-23-8-7-20(16-32-23)19-3-2-4-22(31)13-19)25-11-10-24(33-29(34)18-5-6-18)14-21(25)15-27(28)30(35)36-17/h2-4,7-9,12-13,16-18,21,24-28H,5-6,10-11,14-15H2,1H3,(H,33,34)/b12-9+/t17-,21+,24-,25-,26+,27-,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261110
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23| Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50468042
(CHEMBL4294969)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1ccc(Cl)c(c1)C#N)c1ncc(F)cn1 |r| Show InChI InChI=1S/C22H17ClFN7OS/c1-30-19(32)16-9-31(21-27-7-15(24)8-28-21)11-22(16,29-20(30)26)18-5-14(10-33-18)12-2-3-17(23)13(4-12)6-25/h2-5,7-8,10,16H,9,11H2,1H3,(H2,26,29)/t16-,22-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261108
(CHEMBL447996 | N-((1R,3aR,4aR,6R,8aR,9S,9aS)-1-met...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)NS(C)(=O)=O |r| Show InChI InChI=1S/C28H31F3N2O4S/c1-16-26-24(23-10-9-22(33-38(2,35)36)13-19(23)14-25(26)27(34)37-16)11-8-21-7-6-18(15-32-21)17-4-3-5-20(12-17)28(29,30)31/h3-8,11-12,15-16,19,22-26,33H,9-10,13-14H2,1-2H3/b11-8+/t16-,19+,22-,23-,24+,25-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50468049
(CHEMBL4291347)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cc(F)cc(F)c1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C21H17F3N6OS/c1-29-18(31)16-8-30(20-26-6-15(24)7-27-20)10-21(16,28-19(29)25)17-4-12(9-32-17)11-2-13(22)5-14(23)3-11/h2-7,9,16H,8,10H2,1H3,(H2,25,28)/t16-,21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261107
(CHEMBL493975 | N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)NS(C)(=O)=O |r| Show InChI InChI=1S/C27H31FN2O4S/c1-16-26-24(11-8-21-7-6-18(15-29-21)17-4-3-5-20(28)12-17)23-10-9-22(30-35(2,32)33)13-19(23)14-25(26)27(31)34-16/h3-8,11-12,15-16,19,22-26,30H,9-10,13-14H2,1-2H3/b11-8+/t16-,19+,22-,23-,24+,25-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50398696
(CHEMBL2178717)Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncccn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3| Show InChI InChI=1S/C22H19N7OS/c1-28-19(30)17-11-29(21-25-6-3-7-26-21)13-22(17,27-20(28)24)18-9-16(12-31-18)15-5-2-4-14(8-15)10-23/h2-9,12,17H,11,13H2,1H3,(H2,24,27)/t17-,22-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50260521
(CHEMBL507697 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(C)c2F)C1 |r,w:21.23| Show InChI InChI=1S/C30H35FN2O4/c1-4-36-30(35)33-22-11-12-23-20(14-22)15-26-27(18(3)37-29(26)34)25(23)13-10-21-9-8-19(16-32-21)24-7-5-6-17(2)28(24)31/h5-10,13,16,18,20,22-23,25-27H,4,11-12,14-15H2,1-3H3,(H,33,35)/t18-,20+,22-,23-,25+,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50260519
(CHEMBL521531 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(Cl)c2)C1 |r,w:21.23| Show InChI InChI=1S/C29H33ClN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50202073
((3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-m...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12 |r| Show InChI InChI=1S/C27H28F3NO3/c1-15-25-23(22-10-8-21(32)12-18(22)13-24(25)26(33)34-15)9-7-20-6-5-17(14-31-20)16-3-2-4-19(11-16)27(28,29)30/h2-7,9,11,14-15,18,21-25,32H,8,10,12-13H2,1H3/b9-7+/t15-,18+,21-,22-,23+,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane |
J Med Chem 50: 129-38 (2007)
Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50260516
(CHEMBL495422 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2ccccc2F)C1 |r,w:21.23| Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-21-11-12-22-19(14-21)15-25-27(17(2)36-28(25)33)24(22)13-10-20-9-8-18(16-31-20)23-6-4-5-7-26(23)30/h4-10,13,16-17,19,21-22,24-25,27H,3,11-12,14-15H2,1-2H3,(H,32,34)/t17-,19+,21-,22-,24+,25-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261110
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23| Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human PAR1 in HCASMC assessed as inhibition of thrombin-induced thymidine incorporation |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261109
(CHEMBL449425 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-1-...)Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1 |r,w:21.23| Show InChI InChI=1S/C30H33F3N2O4/c1-3-38-29(37)35-23-10-11-24-20(14-23)15-26-27(17(2)39-28(26)36)25(24)12-9-22-8-7-19(16-34-22)18-5-4-6-21(13-18)30(31,32)33/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,35,37)/t17-,20+,23-,24-,25+,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261112
(CHEMBL494816 | propyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9...)Show SMILES CCCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:22.24| Show InChI InChI=1S/C30H35FN2O4/c1-3-13-36-30(35)33-24-10-11-25-21(15-24)16-27-28(18(2)37-29(27)34)26(25)12-9-23-8-7-20(17-32-23)19-5-4-6-22(31)14-19/h4-9,12,14,17-18,21,24-28H,3,10-11,13,15-16H2,1-2H3,(H,33,35)/t18-,21+,24-,25-,26+,27-,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261015
((3R,3aS,4S,4aR,7R,8aR,9aR,E)-7-amino-4-(2-(5-(3-fl...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](N)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r| Show InChI InChI=1S/C26H29FN2O2/c1-15-25-23(22-9-6-20(28)12-18(22)13-24(25)26(30)31-15)10-8-21-7-5-17(14-29-21)16-3-2-4-19(27)11-16/h2-5,7-8,10-11,14-15,18,20,22-25H,6,9,12-13,28H2,1H3/b10-8+/t15-,18+,20-,22-,23+,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50398680
(CHEMBL2178150)Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cc1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3| Show InChI InChI=1S/C24H20FN5OS/c1-29-22(31)20-12-30(19-7-5-18(25)6-8-19)14-24(20,28-23(29)27)21-10-17(13-32-21)16-4-2-3-15(9-16)11-26/h2-10,13,20H,12,14H2,1H3,(H2,27,28)/t20-,24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261016
(CHEMBL447913 | N-((1R,3aR,4aR,6R,8aR,9S,9aS)-1-met...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)NC(C)=O |r| Show InChI InChI=1S/C29H31F3N2O3/c1-16-27-25(24-10-9-23(34-17(2)35)13-20(24)14-26(27)28(36)37-16)11-8-22-7-6-19(15-33-22)18-4-3-5-21(12-18)29(30,31)32/h3-8,11-12,15-16,20,23-27H,9-10,13-14H2,1-2H3,(H,34,35)/b11-8+/t16-,20+,23-,24-,25+,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261113
(CHEMBL455020 | tert-butyl (1R,3aR,4aR,6R,8aR,9S,9a...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](C=Cc3ccc(cn3)-c3cccc(c3)C#N)[C@H]12)NC(=O)OC(C)(C)C |r,w:15.16| Show InChI InChI=1S/C32H37N3O4/c1-19-29-27(13-10-24-9-8-22(18-34-24)21-7-5-6-20(14-21)17-33)26-12-11-25(35-31(37)39-32(2,3)4)15-23(26)16-28(29)30(36)38-19/h5-10,13-14,18-19,23,25-29H,11-12,15-16H2,1-4H3,(H,35,37)/t19-,23+,25-,26-,27+,28-,29+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261115
(CHEMBL506808 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)Show SMILES CCCN([C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1)C(=O)OCC |r| Show InChI InChI=1S/C32H39FN2O4/c1-4-15-35(32(37)38-5-2)26-12-14-27-23(17-26)18-29-30(20(3)39-31(29)36)28(27)13-11-25-10-9-22(19-34-25)21-7-6-8-24(33)16-21/h6-11,13,16,19-20,23,26-30H,4-5,12,14-15,17-18H2,1-3H3/b13-11+/t20-,23+,26-,27-,28+,29-,30+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50468041
(CHEMBL4282976)Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(Br)cs1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C15H14BrFN6OS/c1-22-12(24)10-5-23(14-19-3-9(17)4-20-14)7-15(10,21-13(22)18)11-2-8(16)6-25-11/h2-4,6,10H,5,7H2,1H3,(H2,18,21)/t10-,15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human BACE1 expressed in HEK293 cells |
J Med Chem 61: 10700-10708 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01326
BindingDB Entry DOI: 10.7270/Q2VX0K6D |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50260517
(CHEMBL460583 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(c2)C(N)=O)C1 |r,w:21.23| Show InChI InChI=1S/C30H35N3O5/c1-3-37-30(36)33-23-10-11-24-21(14-23)15-26-27(17(2)38-29(26)35)25(24)12-9-22-8-7-20(16-32-22)18-5-4-6-19(13-18)28(31)34/h4-9,12-13,16-17,21,23-27H,3,10-11,14-15H2,1-2H3,(H2,31,34)(H,33,36)/t17-,21+,23-,24-,25+,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 367 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50418100
(CHEMBL1743355 | SCH-66712)Show SMILES Fc1cnc(nc1)N1CCN(Cc2cnc([nH]2)-c2ccccc2)CC1 Show InChI InChI=1S/C18H19FN6/c19-15-10-21-18(22-11-15)25-8-6-24(7-9-25)13-16-12-20-17(23-16)14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2,(H,20,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kalamazoo College
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Drug Metab Dispos 39: 974-83 (2011)
Article DOI: 10.1124/dmd.110.037630
BindingDB Entry DOI: 10.7270/Q22N541S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50418099
(CHEMBL1519342)Show SMILES CCc1nc(C)c(CN2CCN(CC2)c2cc(ccn2)C(F)(F)F)[nH]1 Show InChI InChI=1S/C17H22F3N5/c1-3-15-22-12(2)14(23-15)11-24-6-8-25(9-7-24)16-10-13(4-5-21-16)17(18,19)20/h4-5,10H,3,6-9,11H2,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kalamazoo College
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Drug Metab Dispos 39: 974-83 (2011)
Article DOI: 10.1124/dmd.110.037630
BindingDB Entry DOI: 10.7270/Q22N541S |
More data for this
Ligand-Target Pair | |
Search and Browse
