Found 11 hits with Last Name = 'gravel' and Initial = 'd' 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 |
|---|
Neprilysin
(Rattus norvegicus (Rat)) | BDBM50024096
(((R)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of rat kidney neutral endopeptidase |
Bioorg Med Chem Lett 6: 2097-2102 (1996)
Article DOI: 10.1016/0960-894X(96)00375-7
BindingDB Entry DOI: 10.7270/Q2X92B8K |
More data for this
Ligand-Target Pair | |
Neprilysin
(Rattus norvegicus (Rat)) | BDBM50024102
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of rat kidney neutral endopeptidase |
Bioorg Med Chem Lett 6: 2097-2102 (1996)
Article DOI: 10.1016/0960-894X(96)00375-7
BindingDB Entry DOI: 10.7270/Q2X92B8K |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neprilysin
(Rattus norvegicus (Rat)) | BDBM50287697
((4S,7S)-7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-o...)Show SMILES OC(=O)[C@@H]1CCCC2N1C(=O)[C@@H](CS)Cc1ccccc21 Show InChI InChI=1S/C16H19NO3S/c18-15-11(9-21)8-10-4-1-2-5-12(10)13-6-3-7-14(16(19)20)17(13)15/h1-2,4-5,11,13-14,21H,3,6-9H2,(H,19,20)/t11-,13?,14+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of rat kidney neutral endopeptidase |
Bioorg Med Chem Lett 6: 2097-2102 (1996)
Article DOI: 10.1016/0960-894X(96)00375-7
BindingDB Entry DOI: 10.7270/Q2X92B8K |
More data for this
Ligand-Target Pair | |
Neprilysin
(Rattus norvegicus (Rat)) | BDBM50287716
(CHEMBL63704 | [((1S,2R,5S)-2-Mercapto-5-phenyl-cyc...)Show SMILES OC(=O)CNC(=O)[C@H]1[C@H](S)CC[C@@H]1c1ccccc1 Show InChI InChI=1S/C14H17NO3S/c16-12(17)8-15-14(18)13-10(6-7-11(13)19)9-4-2-1-3-5-9/h1-5,10-11,13,19H,6-8H2,(H,15,18)(H,16,17)/t10-,11-,13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of rat kidney neutral endopeptidase |
Bioorg Med Chem Lett 6: 2097-2102 (1996)
Article DOI: 10.1016/0960-894X(96)00375-7
BindingDB Entry DOI: 10.7270/Q2X92B8K |
More data for this
Ligand-Target Pair | |
Neprilysin
(Rattus norvegicus (Rat)) | BDBM50287717
(CHEMBL67069 | [((1R,2S,5R)-2-Mercapto-5-phenyl-cyc...)Show SMILES OC(=O)CNC(=O)[C@@H]1[C@@H](S)CC[C@H]1c1ccccc1 Show InChI InChI=1S/C14H17NO3S/c16-12(17)8-15-14(18)13-10(6-7-11(13)19)9-4-2-1-3-5-9/h1-5,10-11,13,19H,6-8H2,(H,15,18)(H,16,17)/t10-,11-,13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of rat kidney neutral endopeptidase |
Bioorg Med Chem Lett 6: 2097-2102 (1996)
Article DOI: 10.1016/0960-894X(96)00375-7
BindingDB Entry DOI: 10.7270/Q2X92B8K |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50450369
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)Show SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the interaction of Selectin E and HL-60 cells |
Bioorg Med Chem Lett 11: 1109-12 (2001)
BindingDB Entry DOI: 10.7270/Q28C9WSC |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50450369
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)Show SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the interaction of Selectin E and HL-60 cells |
Bioorg Med Chem Lett 11: 1109-12 (2001)
BindingDB Entry DOI: 10.7270/Q28C9WSC |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50450369
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)Show SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the interaction of Selectin E and HL-60 cells |
Bioorg Med Chem Lett 11: 1109-12 (2001)
BindingDB Entry DOI: 10.7270/Q28C9WSC |
More data for this
Ligand-Target Pair | |
P-selectin
(Homo sapiens (Human)) | BDBM50450369
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)Show SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the interaction of Selectin P and HL-60 cells |
Bioorg Med Chem Lett 11: 1109-12 (2001)
BindingDB Entry DOI: 10.7270/Q28C9WSC |
More data for this
Ligand-Target Pair | |
P-selectin
(Homo sapiens (Human)) | BDBM50450369
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)Show SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the interaction of Selectin P and HL-60 cells |
Bioorg Med Chem Lett 11: 1109-12 (2001)
BindingDB Entry DOI: 10.7270/Q28C9WSC |
More data for this
Ligand-Target Pair | |
P-selectin
(Homo sapiens (Human)) | BDBM50450369
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)Show SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the interaction of Selectin P and HL-60 cells |
Bioorg Med Chem Lett 11: 1109-12 (2001)
BindingDB Entry DOI: 10.7270/Q28C9WSC |
More data for this
Ligand-Target Pair | |
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