Found 12 hits with Last Name = 'kamens' and Initial = 'aj' 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 |
|---|
EH domain-containing protein 1
(Homo sapiens) | BDBM50453873
(CHEMBL4210179)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSCc2ccc(CSCCNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C1=O)cc2)NC(=O)CCC#C |r| Show InChI InChI=1S/C55H67N9O14S2/c1-2-3-11-46(67)58-43-32-80-31-36-14-12-35(13-15-36)30-79-26-24-57-49(72)38(20-22-47(68)69)59-50(73)39(21-23-48(70)71)60-51(74)41(27-33-8-5-4-6-9-33)62-54(77)44-10-7-25-64(44)55(78)42(29-45(56)66)63-52(75)40(61-53(43)76)28-34-16-18-37(65)19-17-34/h1,4-6,8-9,12-19,38-44,65H,3,7,10-11,20-32H2,(H2,56,66)(H,57,72)(H,58,67)(H,59,73)(H,60,74)(H,61,76)(H,62,77)(H,63,75)(H,68,69)(H,70,71)/t38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Inhibition of fluorescence-labelled cNPF1 probe binding to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells pretrea... |
Bioorg Med Chem 26: 1206-1211 (2018)
Article DOI: 10.1016/j.bmc.2017.09.007
BindingDB Entry DOI: 10.7270/Q2CN76G0 |
More data for this
Ligand-Target Pair | |
EH domain-containing protein 1
(Homo sapiens) | BDBM50453871
(CHEMBL4203846)Show SMILES NC(=O)C[C@@H]1NC(=O)C(CSCc2ccccc2CSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=O)CCC#C |r| Show InChI InChI=1S/C47H58N8O14S2/c1-2-3-15-38(57)49-34-25-70-23-28-12-7-8-13-29(28)24-71-26-35(47(68)69)54-42(63)31(17-19-40(60)61)50-41(62)30(16-18-39(58)59)51-43(64)32(21-27-10-5-4-6-11-27)52-45(66)36-14-9-20-55(36)46(67)33(22-37(48)56)53-44(34)65/h1,4-8,10-13,30-36H,3,9,14-26H2,(H2,48,56)(H,49,57)(H,50,62)(H,51,64)(H,52,66)(H,53,65)(H,54,63)(H,58,59)(H,60,61)(H,68,69)/t30-,31-,32-,33-,34?,35-,36-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Inhibition of fluorescence-labelled cNPF1 probe binding to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells pretrea... |
Bioorg Med Chem 26: 1206-1211 (2018)
Article DOI: 10.1016/j.bmc.2017.09.007
BindingDB Entry DOI: 10.7270/Q2CN76G0 |
More data for this
Ligand-Target Pair | |
EH domain-containing protein 1
(Homo sapiens) | BDBM50453874
(CHEMBL4218026)Show SMILES NC(=O)C[C@@H]1NC(=O)N[C@H](CSCc2ccc(CSCCNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C1=O)cc2)NC(=O)CCC#C |r| Show InChI InChI=1S/C46H59N9O12S2/c1-2-3-11-38(57)53-37-27-69-26-30-14-12-29(13-15-30)25-68-22-20-48-41(62)31(16-18-39(58)59)49-42(63)32(17-19-40(60)61)50-43(64)33(23-28-8-5-4-6-9-28)51-44(65)35-10-7-21-55(35)45(66)34(24-36(47)56)52-46(67)54-37/h1,4-6,8-9,12-15,31-35,37H,3,7,10-11,16-27H2,(H2,47,56)(H,48,62)(H,49,63)(H,50,64)(H,51,65)(H,53,57)(H,58,59)(H,60,61)(H2,52,54,67)/t31-,32-,33-,34-,35-,37+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Inhibition of fluorescence-labelled cNPF1 probe binding to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells pretrea... |
Bioorg Med Chem 26: 1206-1211 (2018)
Article DOI: 10.1016/j.bmc.2017.09.007
BindingDB Entry DOI: 10.7270/Q2CN76G0 |
More data for this
Ligand-Target Pair | |
EH domain-containing protein 1
(Homo sapiens) | BDBM50453868
(CHEMBL4214569)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O |r| Show InChI InChI=1S/C41H51N9O14/c42-31(52)19-29-41(64)50-16-4-7-30(50)40(63)48-28(17-22-5-2-1-3-6-22)39(62)47-26(13-15-35(57)58)37(60)46-25(12-14-34(55)56)36(59)44-20-32(53)43-21-33(54)45-27(38(61)49-29)18-23-8-10-24(51)11-9-23/h1-3,5-6,8-11,25-30,51H,4,7,12-21H2,(H2,42,52)(H,43,53)(H,44,59)(H,45,54)(H,46,60)(H,47,62)(H,48,63)(H,49,61)(H,55,56)(H,57,58)/t25-,26-,27-,28-,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Inhibition of fluorescence-labelled cNPF1 probe binding to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells pretrea... |
Bioorg Med Chem 26: 1206-1211 (2018)
Article DOI: 10.1016/j.bmc.2017.09.007
BindingDB Entry DOI: 10.7270/Q2CN76G0 |
More data for this
Ligand-Target Pair | |
EH domain-containing protein 1
(Homo sapiens) | BDBM50453867
(CHEMBL4205818)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSCc2ccccc2CSCCNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)NC(=O)CCC#C |r| Show InChI InChI=1S/C55H67N9O14S2/c1-2-3-15-46(67)58-43-32-80-31-36-13-8-7-12-35(36)30-79-26-24-57-49(72)38(20-22-47(68)69)59-50(73)39(21-23-48(70)71)60-51(74)41(27-33-10-5-4-6-11-33)62-54(77)44-14-9-25-64(44)55(78)42(29-45(56)66)63-52(75)40(61-53(43)76)28-34-16-18-37(65)19-17-34/h1,4-8,10-13,16-19,38-44,65H,3,9,14-15,20-32H2,(H2,56,66)(H,57,72)(H,58,67)(H,59,73)(H,60,74)(H,61,76)(H,62,77)(H,63,75)(H,68,69)(H,70,71)/t38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Inhibition of fluorescence-labelled cNPF1 probe binding to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells pretrea... |
Bioorg Med Chem 26: 1206-1211 (2018)
Article DOI: 10.1016/j.bmc.2017.09.007
BindingDB Entry DOI: 10.7270/Q2CN76G0 |
More data for this
Ligand-Target Pair | |
EH domain-containing protein 1
(Homo sapiens) | BDBM50453869
(CHEMBL4215110)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSCc2cccc(CSCCNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C1=O)c2)NC(=O)CCC#C |r| Show InChI InChI=1S/C55H67N9O14S2/c1-2-3-14-46(67)58-43-32-80-31-36-12-7-11-35(26-36)30-79-25-23-57-49(72)38(19-21-47(68)69)59-50(73)39(20-22-48(70)71)60-51(74)41(27-33-9-5-4-6-10-33)62-54(77)44-13-8-24-64(44)55(78)42(29-45(56)66)63-52(75)40(61-53(43)76)28-34-15-17-37(65)18-16-34/h1,4-7,9-12,15-18,26,38-44,65H,3,8,13-14,19-25,27-32H2,(H2,56,66)(H,57,72)(H,58,67)(H,59,73)(H,60,74)(H,61,76)(H,62,77)(H,63,75)(H,68,69)(H,70,71)/t38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Inhibition of fluorescence-labelled cNPF1 probe binding to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells pretrea... |
Bioorg Med Chem 26: 1206-1211 (2018)
Article DOI: 10.1016/j.bmc.2017.09.007
BindingDB Entry DOI: 10.7270/Q2CN76G0 |
More data for this
Ligand-Target Pair | |
EH domain-containing protein 1
(Homo sapiens) | BDBM50453866
(CHEMBL4210684)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSCc2ccccc2CSCCNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)NC(=O)CCC#C |r| Show InChI InChI=1S/C50H60N8O11S2/c1-2-3-15-43(61)53-40-30-71-29-34-13-8-7-12-33(34)28-70-24-22-52-45(64)36(20-21-44(62)63)54-46(65)38(25-31-10-5-4-6-11-31)56-49(68)41-14-9-23-58(41)50(69)39(27-42(51)60)57-47(66)37(55-48(40)67)26-32-16-18-35(59)19-17-32/h1,4-8,10-13,16-19,36-41,59H,3,9,14-15,20-30H2,(H2,51,60)(H,52,64)(H,53,61)(H,54,65)(H,55,67)(H,56,68)(H,57,66)(H,62,63)/t36-,37-,38-,39-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Inhibition of fluorescence-labelled cNPF1 probe binding to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells pretrea... |
Bioorg Med Chem 26: 1206-1211 (2018)
Article DOI: 10.1016/j.bmc.2017.09.007
BindingDB Entry DOI: 10.7270/Q2CN76G0 |
More data for this
Ligand-Target Pair | |
EH domain-containing protein 1
(Homo sapiens) | BDBM50453872
(CHEMBL4209370)Show SMILES NC(=O)C[C@@H]1NC(=O)N[C@H](CSCc2cccc(CSCCNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C1=O)c2)NC(=O)CCC#C |r| Show InChI InChI=1S/C46H59N9O12S2/c1-2-3-14-38(57)53-37-27-69-26-30-12-7-11-29(22-30)25-68-21-19-48-41(62)31(15-17-39(58)59)49-42(63)32(16-18-40(60)61)50-43(64)33(23-28-9-5-4-6-10-28)51-44(65)35-13-8-20-55(35)45(66)34(24-36(47)56)52-46(67)54-37/h1,4-7,9-12,22,31-35,37H,3,8,13-21,23-27H2,(H2,47,56)(H,48,62)(H,49,63)(H,50,64)(H,51,65)(H,53,57)(H,58,59)(H,60,61)(H2,52,54,67)/t31-,32-,33-,34-,35-,37+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Inhibition of fluorescence-labelled cNPF1 probe binding to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells pretrea... |
Bioorg Med Chem 26: 1206-1211 (2018)
Article DOI: 10.1016/j.bmc.2017.09.007
BindingDB Entry DOI: 10.7270/Q2CN76G0 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor substrate 15
(Homo sapiens) | BDBM50453870
(CHEMBL4215523)Show SMILES CC(=O)N(CCCC[C@@H]1NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |r,wU:60.62,52.54,45.45,25.25,16.16,8.7,wD:34.34,(19.21,-22.95,;17.92,-23.89,;18.09,-25.48,;16.46,-23.24,;16.29,-21.65,;17.58,-20.7,;17.4,-19.11,;18.69,-18.17,;18.52,-16.58,;19.84,-15.8,;19.83,-14.27,;18.48,-13.52,;21.14,-13.49,;21.13,-11.96,;22.45,-11.18,;23.77,-11.93,;22.43,-9.65,;23.75,-8.87,;25.08,-9.62,;26.4,-8.85,;26.4,-7.31,;27.74,-9.6,;21.1,-8.89,;21.08,-7.35,;22.41,-6.58,;19.76,-6.6,;19.76,-5.05,;21.07,-4.29,;21.06,-2.75,;19.73,-2,;22.39,-1.98,;18.44,-7.37,;17.1,-6.62,;17.1,-5.09,;15.79,-7.39,;15.8,-8.93,;17.13,-9.67,;17.14,-11.21,;18.48,-11.96,;19.79,-11.18,;19.78,-9.66,;18.45,-8.9,;14.45,-6.63,;13.13,-7.41,;13.14,-8.94,;11.77,-6.73,;11.3,-5.3,;9.8,-5.31,;9.34,-6.74,;10.56,-7.61,;10.46,-9.14,;11.74,-9.99,;9.67,-10.45,;8.14,-10.42,;7.4,-9.08,;5.87,-9.06,;8.19,-7.77,;10.41,-11.79,;9.62,-13.11,;8.1,-13.08,;10.37,-14.43,;9.59,-15.75,;8.05,-15.73,;7.28,-17.05,;5.74,-17.03,;4.98,-15.68,;3.45,-15.66,;5.78,-14.36,;7.31,-14.39,;13.19,-16.24,;16.27,-15.85,;16.39,-13.81,;15.38,-25.19,;16.52,-26.64,;13.7,-24.73,;13.67,-23.14,;12.27,-22.36,;10.9,-23.19,;10.93,-24.79,;12.33,-25.56,;12.35,-27.15,;10.99,-27.98,;9.6,-27.21,;8.23,-28.02,;8.26,-29.62,;6.89,-30.45,;9.65,-30.39,;11.01,-29.58,;12.4,-30.34,;13.76,-29.53,;15.15,-30.31,;16.52,-29.5,;17.92,-30.28,;16.5,-27.9,;15.11,-27.11,;13.74,-27.93,)| Show InChI InChI=1S/C67H72N10O19/c1-36(78)76(66(94)43-13-6-5-12-42(43)59-44-22-20-40(80)32-53(44)96-54-33-41(81)21-23-45(54)59)28-8-7-14-46-61(89)73-49(31-38-16-18-39(79)19-17-38)64(92)75-51(34-55(68)82)67(95)77-29-9-15-52(77)65(93)74-50(30-37-10-3-2-4-11-37)63(91)72-48(25-27-58(86)87)62(90)71-47(24-26-57(84)85)60(88)69-35-56(83)70-46/h2-6,10-13,16-23,32-33,46-52,79-80H,7-9,14-15,24-31,34-35H2,1H3,(H2,68,82)(H,69,88)(H,70,83)(H,71,90)(H,72,91)(H,73,89)(H,74,93)(H,75,92)(H,84,85)(H,86,87)/t46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Binding affinity to GST-fused Eps15 EH2 domain (unknown origin) expressed in Escherichia coli BL21 cells under high salt condition by fluorescence po... |
Bioorg Med Chem 26: 1206-1211 (2018)
Article DOI: 10.1016/j.bmc.2017.09.007
BindingDB Entry DOI: 10.7270/Q2CN76G0 |
More data for this
Ligand-Target Pair | |
EH domain-containing protein 1
(Homo sapiens) | BDBM50453868
(CHEMBL4214569)Show SMILES NC(=O)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O |r| Show InChI InChI=1S/C41H51N9O14/c42-31(52)19-29-41(64)50-16-4-7-30(50)40(63)48-28(17-22-5-2-1-3-6-22)39(62)47-26(13-15-35(57)58)37(60)46-25(12-14-34(55)56)36(59)44-20-32(53)43-21-33(54)45-27(38(61)49-29)18-23-8-10-24(51)11-9-23/h1-3,5-6,8-11,25-30,51H,4,7,12-21H2,(H2,42,52)(H,43,53)(H,44,59)(H,45,54)(H,46,60)(H,47,62)(H,48,63)(H,49,61)(H,55,56)(H,57,58)/t25-,26-,27-,28-,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 9.90E+3 | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Binding affinity to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells in presence of 150 mM NaCl by isothermal calor... |
Bioorg Med Chem 26: 1206-1211 (2018)
Article DOI: 10.1016/j.bmc.2017.09.007
BindingDB Entry DOI: 10.7270/Q2CN76G0 |
More data for this
Ligand-Target Pair | |
EH domain-containing protein 1
(Homo sapiens) | BDBM50453870
(CHEMBL4215523)Show SMILES CC(=O)N(CCCC[C@@H]1NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |r,wU:60.62,52.54,45.45,25.25,16.16,8.7,wD:34.34,(19.21,-22.95,;17.92,-23.89,;18.09,-25.48,;16.46,-23.24,;16.29,-21.65,;17.58,-20.7,;17.4,-19.11,;18.69,-18.17,;18.52,-16.58,;19.84,-15.8,;19.83,-14.27,;18.48,-13.52,;21.14,-13.49,;21.13,-11.96,;22.45,-11.18,;23.77,-11.93,;22.43,-9.65,;23.75,-8.87,;25.08,-9.62,;26.4,-8.85,;26.4,-7.31,;27.74,-9.6,;21.1,-8.89,;21.08,-7.35,;22.41,-6.58,;19.76,-6.6,;19.76,-5.05,;21.07,-4.29,;21.06,-2.75,;19.73,-2,;22.39,-1.98,;18.44,-7.37,;17.1,-6.62,;17.1,-5.09,;15.79,-7.39,;15.8,-8.93,;17.13,-9.67,;17.14,-11.21,;18.48,-11.96,;19.79,-11.18,;19.78,-9.66,;18.45,-8.9,;14.45,-6.63,;13.13,-7.41,;13.14,-8.94,;11.77,-6.73,;11.3,-5.3,;9.8,-5.31,;9.34,-6.74,;10.56,-7.61,;10.46,-9.14,;11.74,-9.99,;9.67,-10.45,;8.14,-10.42,;7.4,-9.08,;5.87,-9.06,;8.19,-7.77,;10.41,-11.79,;9.62,-13.11,;8.1,-13.08,;10.37,-14.43,;9.59,-15.75,;8.05,-15.73,;7.28,-17.05,;5.74,-17.03,;4.98,-15.68,;3.45,-15.66,;5.78,-14.36,;7.31,-14.39,;13.19,-16.24,;16.27,-15.85,;16.39,-13.81,;15.38,-25.19,;16.52,-26.64,;13.7,-24.73,;13.67,-23.14,;12.27,-22.36,;10.9,-23.19,;10.93,-24.79,;12.33,-25.56,;12.35,-27.15,;10.99,-27.98,;9.6,-27.21,;8.23,-28.02,;8.26,-29.62,;6.89,-30.45,;9.65,-30.39,;11.01,-29.58,;12.4,-30.34,;13.76,-29.53,;15.15,-30.31,;16.52,-29.5,;17.92,-30.28,;16.5,-27.9,;15.11,-27.11,;13.74,-27.93,)| Show InChI InChI=1S/C67H72N10O19/c1-36(78)76(66(94)43-13-6-5-12-42(43)59-44-22-20-40(80)32-53(44)96-54-33-41(81)21-23-45(54)59)28-8-7-14-46-61(89)73-49(31-38-16-18-39(79)19-17-38)64(92)75-51(34-55(68)82)67(95)77-29-9-15-52(77)65(93)74-50(30-37-10-3-2-4-11-37)63(91)72-48(25-27-58(86)87)62(90)71-47(24-26-57(84)85)60(88)69-35-56(83)70-46/h2-6,10-13,16-23,32-33,46-52,79-80H,7-9,14-15,24-31,34-35H2,1H3,(H2,68,82)(H,69,88)(H,70,83)(H,71,90)(H,72,91)(H,73,89)(H,74,93)(H,75,92)(H,84,85)(H,86,87)/t46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.51E+4 | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Binding affinity to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells measured after 1 hr in presence of 150 mM NaCl... |
Bioorg Med Chem 26: 1206-1211 (2018)
Article DOI: 10.1016/j.bmc.2017.09.007
BindingDB Entry DOI: 10.7270/Q2CN76G0 |
More data for this
Ligand-Target Pair | |
EH domain-containing protein 1
(Homo sapiens) | BDBM50453870
(CHEMBL4215523)Show SMILES CC(=O)N(CCCC[C@@H]1NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |r,wU:60.62,52.54,45.45,25.25,16.16,8.7,wD:34.34,(19.21,-22.95,;17.92,-23.89,;18.09,-25.48,;16.46,-23.24,;16.29,-21.65,;17.58,-20.7,;17.4,-19.11,;18.69,-18.17,;18.52,-16.58,;19.84,-15.8,;19.83,-14.27,;18.48,-13.52,;21.14,-13.49,;21.13,-11.96,;22.45,-11.18,;23.77,-11.93,;22.43,-9.65,;23.75,-8.87,;25.08,-9.62,;26.4,-8.85,;26.4,-7.31,;27.74,-9.6,;21.1,-8.89,;21.08,-7.35,;22.41,-6.58,;19.76,-6.6,;19.76,-5.05,;21.07,-4.29,;21.06,-2.75,;19.73,-2,;22.39,-1.98,;18.44,-7.37,;17.1,-6.62,;17.1,-5.09,;15.79,-7.39,;15.8,-8.93,;17.13,-9.67,;17.14,-11.21,;18.48,-11.96,;19.79,-11.18,;19.78,-9.66,;18.45,-8.9,;14.45,-6.63,;13.13,-7.41,;13.14,-8.94,;11.77,-6.73,;11.3,-5.3,;9.8,-5.31,;9.34,-6.74,;10.56,-7.61,;10.46,-9.14,;11.74,-9.99,;9.67,-10.45,;8.14,-10.42,;7.4,-9.08,;5.87,-9.06,;8.19,-7.77,;10.41,-11.79,;9.62,-13.11,;8.1,-13.08,;10.37,-14.43,;9.59,-15.75,;8.05,-15.73,;7.28,-17.05,;5.74,-17.03,;4.98,-15.68,;3.45,-15.66,;5.78,-14.36,;7.31,-14.39,;13.19,-16.24,;16.27,-15.85,;16.39,-13.81,;15.38,-25.19,;16.52,-26.64,;13.7,-24.73,;13.67,-23.14,;12.27,-22.36,;10.9,-23.19,;10.93,-24.79,;12.33,-25.56,;12.35,-27.15,;10.99,-27.98,;9.6,-27.21,;8.23,-28.02,;8.26,-29.62,;6.89,-30.45,;9.65,-30.39,;11.01,-29.58,;12.4,-30.34,;13.76,-29.53,;15.15,-30.31,;16.52,-29.5,;17.92,-30.28,;16.5,-27.9,;15.11,-27.11,;13.74,-27.93,)| Show InChI InChI=1S/C67H72N10O19/c1-36(78)76(66(94)43-13-6-5-12-42(43)59-44-22-20-40(80)32-53(44)96-54-33-41(81)21-23-45(54)59)28-8-7-14-46-61(89)73-49(31-38-16-18-39(79)19-17-38)64(92)75-51(34-55(68)82)67(95)77-29-9-15-52(77)65(93)74-50(30-37-10-3-2-4-11-37)63(91)72-48(25-27-58(86)87)62(90)71-47(24-26-57(84)85)60(88)69-35-56(83)70-46/h2-6,10-13,16-23,32-33,46-52,79-80H,7-9,14-15,24-31,34-35H2,1H3,(H2,68,82)(H,69,88)(H,70,83)(H,71,90)(H,72,91)(H,73,89)(H,74,93)(H,75,92)(H,84,85)(H,86,87)/t46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a |
Tufts University
Curated by ChEMBL
| Assay Description
Binding affinity to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells measured after 1 hr in presence of 15 mM NaCl ... |
Bioorg Med Chem 26: 1206-1211 (2018)
Article DOI: 10.1016/j.bmc.2017.09.007
BindingDB Entry DOI: 10.7270/Q2CN76G0 |
More data for this
Ligand-Target Pair | |
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