Found 21 hits with Last Name = 'kuhn' and Initial = 'p' 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 |
|---|
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 6.90 | -46.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of North Carolina at Chapel Hill
| Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob... |
Chem Biol 10: 341-9 (2003)
Article DOI: 10.1016/s1074-5521(03)00071-1
BindingDB Entry DOI: 10.7270/Q2N014T9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM24710
(6-chloro-2-methoxyacridin-9-amine | 9-Amino-6-Chlo...)Show InChI InChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 49 | -41.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of North Carolina at Chapel Hill
| Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob... |
Chem Biol 10: 341-9 (2003)
Article DOI: 10.1016/s1074-5521(03)00071-1
BindingDB Entry DOI: 10.7270/Q2N014T9 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM24709
(6,9-Diamino-2-Ethoxyacridine | 7-ethoxyacridine-3,...)Show InChI InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 490 | -35.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of North Carolina at Chapel Hill
| Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob... |
Chem Biol 10: 341-9 (2003)
Article DOI: 10.1016/s1074-5521(03)00071-1
BindingDB Entry DOI: 10.7270/Q2N014T9 |
More data for this
Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM24710
(6-chloro-2-methoxyacridin-9-amine | 9-Amino-6-Chlo...)Show InChI InChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 5.80E+3 | -29.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of North Carolina at Chapel Hill
| Assay Description
Inhibition constants were calculated by assessment of the reduction in the formation of o-nitrophenol, as monitored by a spectrophotometric assay at ... |
Chem Biol 10: 341-9 (2003)
Article DOI: 10.1016/s1074-5521(03)00071-1
BindingDB Entry DOI: 10.7270/Q2N014T9 |
More data for this
Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM24709
(6,9-Diamino-2-Ethoxyacridine | 7-ethoxyacridine-3,...)Show InChI InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.71E+4 | -26.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of North Carolina at Chapel Hill
| Assay Description
Inhibition constants were calculated by assessment of the reduction in the formation of o-nitrophenol, as monitored by a spectrophotometric assay at ... |
Chem Biol 10: 341-9 (2003)
Article DOI: 10.1016/s1074-5521(03)00071-1
BindingDB Entry DOI: 10.7270/Q2N014T9 |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+5 | >-22.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of North Carolina at Chapel Hill
| Assay Description
Inhibition constants were calculated by assessment of the reduction in the formation of o-nitrophenol, as monitored by a spectrophotometric assay at ... |
Chem Biol 10: 341-9 (2003)
Article DOI: 10.1016/s1074-5521(03)00071-1
BindingDB Entry DOI: 10.7270/Q2N014T9 |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM24709
(6,9-Diamino-2-Ethoxyacridine | 7-ethoxyacridine-3,...)Show InChI InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| >1.00E+5 | >-22.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of North Carolina at Chapel Hill
| Assay Description
Inhibition constants were calculated by assessment of the reduction in the formation of o-nitrophenol, as monitored by a spectrophotometric assay at ... |
Chem Biol 10: 341-9 (2003)
Article DOI: 10.1016/s1074-5521(03)00071-1
BindingDB Entry DOI: 10.7270/Q2N014T9 |
More data for this
Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| >1.00E+5 | >-22.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of North Carolina at Chapel Hill
| Assay Description
Inhibition constants were calculated by assessment of the reduction in the formation of o-nitrophenol, as monitored by a spectrophotometric assay at ... |
Chem Biol 10: 341-9 (2003)
Article DOI: 10.1016/s1074-5521(03)00071-1
BindingDB Entry DOI: 10.7270/Q2N014T9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM24710
(6-chloro-2-methoxyacridin-9-amine | 9-Amino-6-Chlo...)Show InChI InChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| >1.00E+5 | >-22.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of North Carolina at Chapel Hill
| Assay Description
Inhibition constants were calculated by assessment of the reduction in the formation of o-nitrophenol, as monitored by a spectrophotometric assay at ... |
Chem Biol 10: 341-9 (2003)
Article DOI: 10.1016/s1074-5521(03)00071-1
BindingDB Entry DOI: 10.7270/Q2N014T9 |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 2
(Mus musculus) | BDBM50242406
(CHEMBL448652 | SNEWIQPRLPQH)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r,wU:22.29,4.4,73.75,88.91,wD:39.41,31.37,8.20,2.2,46.47,58.61,62.64,84.88,97.100,(6.11,-.72,;6.16,-2.26,;7.52,-2.99,;8.83,-2.19,;7.56,-4.54,;6.25,-5.35,;4.9,-4.62,;4.85,-3.07,;3.59,-5.43,;3.63,-6.97,;4.99,-7.7,;6.37,-7.03,;7.44,-8.15,;6.7,-9.49,;7.23,-10.95,;6.23,-12.12,;4.71,-11.85,;4.2,-10.39,;5.19,-9.22,;2.23,-4.7,;.91,-5.5,;.96,-7.04,;-.45,-4.77,;-.49,-3.23,;.82,-2.42,;.78,-.88,;-.58,-.15,;2.09,-.07,;-1.75,-5.58,;-3.11,-4.85,;-3.15,-3.31,;-4.42,-5.66,;-4.38,-7.2,;-3.02,-7.93,;-1.7,-7.12,;-2.97,-9.47,;-5.78,-4.92,;-7.09,-5.74,;-7.05,-7.27,;-8.44,-5,;-8.49,-3.47,;-9.75,-5.81,;-11.11,-5.08,;8.92,-5.27,;8.96,-6.81,;10.23,-4.46,;11.59,-5.19,;11.64,-6.73,;10.32,-7.54,;10.37,-9.08,;11.72,-9.81,;9.05,-9.89,;12.9,-4.38,;12.85,-2.84,;14.25,-5.11,;14.6,-6.76,;16.28,-6.94,;16.97,-5.41,;15.65,-4.56,;15.81,-3.04,;14.57,-2.14,;17.22,-2.4,;18.52,-3.23,;18.46,-4.76,;19.76,-5.59,;19.7,-7.12,;21.01,-7.95,;20.95,-9.49,;19.59,-10.2,;22.25,-10.31,;19.89,-2.51,;19.94,-.96,;21.19,-3.33,;22.55,-2.62,;22.62,-1.07,;23.98,-.35,;24.04,1.18,;25.28,-1.18,;23.85,-3.43,;25.22,-2.71,;23.8,-4.98,;22.47,-6.01,;23.05,-7.6,;24.72,-7.54,;24.9,-6.01,;26.35,-5.46,;26.59,-3.94,;27.53,-6.44,;28.97,-5.9,;29.22,-4.39,;30.68,-3.83,;30.92,-2.33,;29.74,-1.36,;32.37,-1.78,;30.18,-6.88,;29.92,-8.42,;31.6,-6.34,;32.81,-7.32,;32.56,-8.86,;33.74,-9.82,;33.63,-11.38,;35.06,-11.95,;36.04,-10.76,;35.22,-9.46,;34.23,-6.78,;35.44,-7.77,;34.48,-5.28,)| Show InChI InChI=1S/C67H101N21O19/c1-5-34(4)54(86-60(100)44(26-35-29-76-39-12-7-6-11-37(35)39)83-57(97)42(18-21-53(93)94)78-59(99)45(28-52(71)92)82-55(95)38(68)31-89)63(103)81-43(17-20-51(70)91)64(104)87-23-9-14-48(87)61(101)79-40(13-8-22-75-67(72)73)56(96)84-46(25-33(2)3)65(105)88-24-10-15-49(88)62(102)80-41(16-19-50(69)90)58(98)85-47(66(106)107)27-36-30-74-32-77-36/h6-7,11-12,29-30,32-34,38,40-49,54,76,89H,5,8-10,13-28,31,68H2,1-4H3,(H2,69,90)(H2,70,91)(H2,71,92)(H,74,77)(H,78,99)(H,79,101)(H,80,102)(H,81,103)(H,82,95)(H,83,97)(H,84,96)(H,85,98)(H,86,100)(H,93,94)(H,106,107)(H4,72,73,75)/t34-,38-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,54-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at mouse EphB2 receptor by ELISA |
J Biol Chem 282: 36505-13 (2007)
Article DOI: 10.1074/jbc.M706340200
BindingDB Entry DOI: 10.7270/Q29C6X7S |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 2
(Homo sapiens (Human)) | BDBM50242407
(CHEMBL525059 | SNQWIQPRLPQH)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r,wU:22.29,4.4,73.75,88.91,wD:39.41,31.37,8.20,2.2,46.47,58.61,62.64,84.88,97.100,(7.49,-29.46,;7.58,-30.99,;8.96,-31.68,;10.25,-30.84,;9.05,-33.23,;7.76,-34.07,;6.39,-33.38,;6.3,-31.84,;5.1,-34.23,;5.19,-35.76,;6.57,-36.45,;7.93,-35.74,;9.02,-36.83,;8.34,-38.2,;8.9,-39.64,;7.94,-40.84,;6.41,-40.61,;5.86,-39.17,;6.82,-37.97,;3.73,-33.54,;2.44,-34.37,;2.52,-35.92,;1.06,-33.69,;.97,-32.15,;2.26,-31.3,;2.17,-29.77,;.79,-29.08,;3.45,-28.92,;-.22,-34.53,;-1.6,-33.85,;-1.69,-32.3,;-2.89,-34.68,;-2.8,-36.23,;-1.42,-36.92,;-.13,-36.07,;-1.33,-38.45,;-4.27,-34,;-5.55,-34.84,;-5.46,-36.38,;-6.92,-34.15,;-7.02,-32.62,;-8.21,-34.99,;-9.59,-34.3,;10.43,-33.92,;10.52,-35.45,;11.71,-33.07,;13.09,-33.76,;13.18,-35.29,;11.89,-36.14,;11.98,-37.68,;13.36,-38.37,;10.7,-38.53,;14.37,-32.92,;14.29,-31.38,;15.76,-33.61,;16.15,-35.24,;17.82,-35.38,;18.47,-33.82,;17.14,-33.02,;17.25,-31.49,;15.97,-30.63,;18.63,-30.82,;19.91,-31.68,;19.8,-33.21,;21.07,-34.07,;20.97,-35.61,;22.24,-36.47,;22.13,-38.01,;20.75,-38.68,;23.4,-38.88,;21.3,-31.01,;21.4,-29.47,;22.57,-31.86,;23.95,-31.19,;24.07,-29.66,;25.45,-28.99,;25.56,-27.45,;26.73,-29.84,;25.23,-32.05,;26.61,-31.38,;25.12,-33.59,;23.77,-34.59,;24.29,-36.19,;25.97,-36.18,;26.2,-34.66,;27.66,-34.17,;27.97,-32.67,;28.81,-35.19,;30.28,-34.71,;30.58,-33.2,;32.04,-32.72,;32.36,-31.21,;31.2,-30.18,;33.81,-30.72,;31.42,-35.74,;31.12,-37.24,;32.89,-35.24,;34.04,-36.26,;33.73,-37.77,;34.88,-38.8,;34.73,-40.35,;36.14,-40.96,;37.16,-39.79,;36.37,-38.48,;35.5,-35.79,;36.65,-36.81,;35.81,-34.28,)| Show InChI InChI=1S/C67H102N22O18/c1-5-34(4)54(87-60(100)44(26-35-29-77-39-12-7-6-11-37(35)39)84-57(97)41(16-19-50(69)91)79-59(99)45(28-53(72)94)83-55(95)38(68)31-90)63(103)82-43(18-21-52(71)93)64(104)88-23-9-14-48(88)61(101)80-40(13-8-22-76-67(73)74)56(96)85-46(25-33(2)3)65(105)89-24-10-15-49(89)62(102)81-42(17-20-51(70)92)58(98)86-47(66(106)107)27-36-30-75-32-78-36/h6-7,11-12,29-30,32-34,38,40-49,54,77,90H,5,8-10,13-28,31,68H2,1-4H3,(H2,69,91)(H2,70,92)(H2,71,93)(H2,72,94)(H,75,78)(H,79,99)(H,80,101)(H,81,102)(H,82,103)(H,83,95)(H,84,97)(H,85,96)(H,86,98)(H,87,100)(H,106,107)(H4,73,74,76)/t34-,38-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,54-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human EphB2 receptor by isothermal titration calorimetry |
J Biol Chem 282: 36505-13 (2007)
Article DOI: 10.1074/jbc.M706340200
BindingDB Entry DOI: 10.7270/Q29C6X7S |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 2
(Homo sapiens (Human)) | BDBM50242408
(CHEMBL526907 | SNEWISPRLPQH)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r,wU:22.29,4.4,70.72,85.88,wD:39.41,31.37,8.20,2.2,46.47,55.58,59.61,81.85,94.97,(9.85,.91,;9.86,-.63,;11.2,-1.39,;12.53,-.61,;11.21,-2.93,;9.88,-3.71,;8.54,-2.95,;8.53,-1.41,;7.21,-3.73,;7.22,-5.27,;8.56,-6.03,;9.97,-5.4,;11,-6.53,;10.24,-7.86,;10.73,-9.32,;9.71,-10.47,;8.21,-10.16,;7.72,-8.7,;8.74,-7.56,;5.88,-2.97,;4.55,-3.75,;4.56,-5.29,;3.21,-2.99,;3.2,-1.45,;4.53,-.67,;4.52,.87,;3.18,1.63,;5.84,1.65,;1.88,-3.77,;.54,-3,;.53,-1.47,;-.78,-3.79,;-.77,-5.33,;.57,-6.09,;1.89,-5.31,;.58,-7.63,;-2.12,-3.03,;-3.45,-3.81,;-3.44,-5.35,;-4.8,-3.05,;-4.8,-1.51,;-6.12,-3.83,;-7.45,-3.07,;12.55,-3.69,;12.57,-5.23,;13.87,-2.91,;15.22,-3.67,;15.23,-5.21,;13.9,-5.99,;16.54,-2.89,;16.54,-1.35,;17.89,-3.65,;18.2,-5.3,;19.86,-5.52,;20.58,-4,;19.29,-3.14,;19.48,-1.61,;18.25,-.68,;20.9,-1.01,;22.18,-1.86,;22.09,-3.39,;23.37,-4.25,;23.28,-5.78,;24.56,-6.63,;24.47,-8.17,;23.09,-8.85,;25.76,-9.02,;23.56,-1.17,;23.66,.36,;24.84,-2.02,;26.23,-1.34,;26.32,.2,;27.69,.89,;27.79,2.43,;28.98,.04,;27.51,-2.18,;28.88,-1.5,;27.41,-3.72,;26.07,-4.73,;26.6,-6.31,;28.28,-6.3,;28.5,-4.78,;29.94,-4.26,;30.23,-2.74,;31.12,-5.26,;32.56,-4.75,;32.84,-3.25,;34.31,-2.73,;34.59,-1.23,;33.43,-.24,;36.06,-.71,;33.75,-5.76,;33.46,-7.29,;35.18,-5.25,;36.36,-6.26,;36.08,-7.8,;37.24,-8.78,;37.1,-10.33,;38.51,-10.92,;39.51,-9.76,;38.72,-8.45,;37.8,-5.76,;38.98,-6.76,;38.07,-4.26,)| Show InChI InChI=1S/C65H98N20O19/c1-5-33(4)52(83-58(97)42(24-34-27-73-38-12-7-6-11-36(34)38)79-55(94)41(17-19-51(90)91)75-57(96)43(26-50(68)89)78-53(92)37(66)29-86)61(100)82-46(30-87)63(102)85-22-10-15-48(85)59(98)76-39(13-8-20-72-65(69)70)54(93)80-44(23-32(2)3)62(101)84-21-9-14-47(84)60(99)77-40(16-18-49(67)88)56(95)81-45(64(103)104)25-35-28-71-31-74-35/h6-7,11-12,27-28,31-33,37,39-48,52,73,86-87H,5,8-10,13-26,29-30,66H2,1-4H3,(H2,67,88)(H2,68,89)(H,71,74)(H,75,96)(H,76,98)(H,77,99)(H,78,92)(H,79,94)(H,80,93)(H,81,95)(H,82,100)(H,83,97)(H,90,91)(H,103,104)(H4,69,70,72)/t33-,37-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,52-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human EphB2 receptor by isothermal titration calorimetry |
J Biol Chem 282: 36505-13 (2007)
Article DOI: 10.1074/jbc.M706340200
BindingDB Entry DOI: 10.7270/Q29C6X7S |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 2
(Homo sapiens (Human)) | BDBM50242409
(CHEMBL526325 | SNEWILPRLPQH)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r,wU:39.41,22.29,4.4,46.47,57.60,61.63,83.87,96.99,wD:31.37,8.20,2.2,72.74,87.90,(1.44,-23.28,;2.63,-24.25,;4.08,-23.7,;4.32,-22.19,;5.26,-24.69,;5.02,-26.21,;3.58,-26.74,;2.38,-25.77,;3.33,-28.26,;4.52,-29.24,;5.96,-28.69,;6.37,-27.21,;7.9,-27.14,;8.45,-28.58,;9.89,-29.14,;10.12,-30.65,;8.91,-31.61,;7.48,-31.06,;7.24,-29.54,;1.88,-28.81,;1.92,-30.55,;3.08,-31.2,;.55,-31.25,;-.74,-30.39,;-.64,-28.86,;-1.93,-28,;-3.3,-28.7,;-1.84,-26.46,;.46,-32.78,;-.92,-33.47,;-2.2,-32.61,;-1.02,-35,;.27,-35.85,;1.64,-35.17,;1.74,-33.63,;2.92,-36.02,;-2.39,-35.69,;-2.48,-37.22,;-1.2,-38.07,;-3.87,-37.92,;-3.95,-39.45,;-5.16,-37.06,;-6.53,-37.75,;6.71,-24.14,;7.91,-25.11,;6.95,-22.62,;8.39,-22.07,;8.64,-20.55,;7.45,-19.58,;7.7,-18.06,;6.02,-20.13,;9.58,-23.05,;9.34,-24.57,;11.03,-22.51,;11.59,-20.92,;13.27,-20.97,;13.74,-22.57,;12.35,-23.23,;12.29,-24.77,;10.93,-25.5,;13.59,-25.58,;14.99,-24.94,;15.07,-23.4,;16.45,-22.7,;16.51,-21.15,;17.88,-20.45,;17.96,-18.92,;16.67,-18.08,;19.34,-18.22,;16.26,-25.82,;16.11,-27.36,;17.66,-25.19,;18.91,-26.08,;18.87,-27.62,;20.17,-28.43,;20.13,-29.97,;21.53,-27.7,;20.31,-25.44,;21.56,-26.33,;20.45,-23.91,;19.28,-22.7,;20.06,-21.21,;21.71,-21.49,;21.69,-23.03,;23.03,-23.76,;23.08,-25.3,;24.35,-22.95,;25.7,-23.68,;25.75,-25.21,;27.12,-25.95,;27.15,-27.47,;25.86,-28.26,;28.52,-28.21,;27.03,-22.87,;26.98,-21.32,;28.36,-23.59,;29.7,-22.77,;29.64,-21.22,;30.94,-20.43,;32.36,-20.98,;33.34,-19.81,;32.53,-18.5,;31.04,-18.87,;31.03,-23.49,;32.36,-22.68,;31.07,-25.02,)| Show InChI InChI=1S/C68H104N20O18/c1-7-36(6)55(86-61(99)45(27-37-30-76-41-14-9-8-13-39(37)41)82-58(96)44(19-21-54(92)93)78-60(98)46(29-53(71)91)81-56(94)40(69)32-89)64(102)84-48(26-35(4)5)66(104)88-24-11-16-50(88)62(100)79-42(15-10-22-75-68(72)73)57(95)83-47(25-34(2)3)65(103)87-23-12-17-51(87)63(101)80-43(18-20-52(70)90)59(97)85-49(67(105)106)28-38-31-74-33-77-38/h8-9,13-14,30-31,33-36,40,42-51,55,76,89H,7,10-12,15-29,32,69H2,1-6H3,(H2,70,90)(H2,71,91)(H,74,77)(H,78,98)(H,79,100)(H,80,101)(H,81,94)(H,82,96)(H,83,95)(H,84,102)(H,85,97)(H,86,99)(H,92,93)(H,105,106)(H4,72,73,75)/t36-,40-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human EphB2 receptor by isothermal titration calorimetry |
J Biol Chem 282: 36505-13 (2007)
Article DOI: 10.1074/jbc.M706340200
BindingDB Entry DOI: 10.7270/Q29C6X7S |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 2
(Homo sapiens (Human)) | BDBM50242410
(CHEMBL508644 | SNEWIQPKLPQH)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C67H101N19O19/c1-5-35(4)55(84-61(98)45(27-36-30-74-40-13-7-6-12-38(36)40)81-58(95)43(19-22-54(91)92)76-60(97)46(29-53(72)90)80-56(93)39(69)32-87)64(101)79-44(18-21-52(71)89)65(102)85-24-10-15-49(85)62(99)77-41(14-8-9-23-68)57(94)82-47(26-34(2)3)66(103)86-25-11-16-50(86)63(100)78-42(17-20-51(70)88)59(96)83-48(67(104)105)28-37-31-73-33-75-37/h6-7,12-13,30-31,33-35,39,41-50,55,74,87H,5,8-11,14-29,32,68-69H2,1-4H3,(H2,70,88)(H2,71,89)(H2,72,90)(H,73,75)(H,76,97)(H,77,99)(H,78,100)(H,79,101)(H,80,93)(H,81,95)(H,82,94)(H,83,96)(H,84,98)(H,91,92)(H,104,105)/t35-,39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,55-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human EphB2 receptor by isothermal titration calorimetry |
J Biol Chem 282: 36505-13 (2007)
Article DOI: 10.1074/jbc.M706340200
BindingDB Entry DOI: 10.7270/Q29C6X7S |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 2
(Homo sapiens (Human)) | BDBM50242411
(CHEMBL504700 | SNEWIQPALPQH)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C64H94N18O19/c1-6-32(4)52(80-58(94)42(24-34-27-70-38-12-8-7-11-36(34)38)77-55(91)40(17-20-51(87)88)73-57(93)43(26-50(68)86)76-54(90)37(65)29-83)61(97)75-41(16-19-49(67)85)62(98)81-21-9-13-46(81)59(95)72-33(5)53(89)78-44(23-31(2)3)63(99)82-22-10-14-47(82)60(96)74-39(15-18-48(66)84)56(92)79-45(64(100)101)25-35-28-69-30-71-35/h7-8,11-12,27-28,30-33,37,39-47,52,70,83H,6,9-10,13-26,29,65H2,1-5H3,(H2,66,84)(H2,67,85)(H2,68,86)(H,69,71)(H,72,95)(H,73,93)(H,74,96)(H,75,97)(H,76,90)(H,77,91)(H,78,89)(H,79,92)(H,80,94)(H,87,88)(H,100,101)/t32-,33-,37-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human EphB2 receptor by isothermal titration calorimetry |
J Biol Chem 282: 36505-13 (2007)
Article DOI: 10.1074/jbc.M706340200
BindingDB Entry DOI: 10.7270/Q29C6X7S |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 2
(Homo sapiens (Human)) | BDBM50242412
(CHEMBL451203 | SNEWIQPHLPQH)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C67H96N20O19/c1-5-34(4)55(85-61(99)44(23-35-27-74-40-11-7-6-10-38(35)40)81-57(95)42(16-19-54(92)93)77-60(98)46(26-53(71)91)80-56(94)39(68)30-88)64(102)79-43(15-18-52(70)90)65(103)86-20-8-13-50(86)63(101)82-45(24-36-28-72-31-75-36)59(97)83-47(22-33(2)3)66(104)87-21-9-12-49(87)62(100)78-41(14-17-51(69)89)58(96)84-48(67(105)106)25-37-29-73-32-76-37/h6-7,10-11,27-29,31-34,39,41-50,55,74,88H,5,8-9,12-26,30,68H2,1-4H3,(H2,69,89)(H2,70,90)(H2,71,91)(H,72,75)(H,73,76)(H,77,98)(H,78,100)(H,79,102)(H,80,94)(H,81,95)(H,82,101)(H,83,97)(H,84,96)(H,85,99)(H,92,93)(H,105,106)/t34-,39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,55-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human EphB2 receptor by isothermal titration calorimetry |
J Biol Chem 282: 36505-13 (2007)
Article DOI: 10.1074/jbc.M706340200
BindingDB Entry DOI: 10.7270/Q29C6X7S |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 2
(Homo sapiens (Human)) | BDBM50242413
(CHEMBL453443 | SNQWILPRLPQH)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r,wU:39.41,22.29,4.4,57.60,61.63,83.87,96.99,46.47,wD:31.37,8.20,2.2,72.74,87.90,(2.36,-5.37,;3.61,-6.27,;5,-5.64,;5.17,-4.1,;6.26,-6.54,;6.1,-8.07,;4.69,-8.7,;3.44,-7.8,;4.54,-10.23,;5.79,-11.14,;7.19,-10.5,;7.51,-9,;9.04,-8.84,;9.67,-10.24,;11.13,-10.7,;11.46,-12.22,;10.32,-13.24,;8.85,-12.77,;8.52,-11.27,;3.13,-10.86,;3.13,-12.4,;4.47,-13.17,;1.81,-13.17,;.48,-12.41,;.46,-10.87,;-.87,-10.09,;-2.19,-10.88,;-.88,-8.56,;1.81,-14.72,;.48,-15.49,;-.86,-14.72,;.49,-17.03,;1.82,-17.79,;3.15,-17.03,;3.14,-15.48,;4.49,-17.79,;-.86,-17.8,;-.84,-19.34,;.49,-20.12,;-2.17,-20.12,;-2.18,-21.66,;-3.52,-19.35,;-4.85,-20.12,;7.66,-5.9,;8.92,-6.81,;7.82,-4.37,;9.22,-3.74,;9.38,-2.2,;8.12,-1.31,;8.28,.23,;6.72,-1.93,;10.47,-4.64,;10.31,-6.18,;11.87,-4.01,;12.34,-2.4,;14.02,-2.33,;14.59,-3.91,;13.23,-4.65,;13.28,-6.19,;11.96,-7,;14.63,-6.93,;15.98,-6.21,;16.03,-4.66,;17.39,-3.94,;17.44,-2.4,;18.8,-1.67,;18.85,-.13,;17.55,.68,;20.22,.6,;17.29,-7.02,;17.24,-8.55,;18.65,-6.29,;19.95,-7.1,;19.91,-8.64,;21.21,-9.45,;21.16,-11,;22.57,-8.73,;21.32,-6.38,;22.62,-7.19,;21.37,-4.84,;20.13,-3.71,;20.81,-2.18,;22.48,-2.36,;22.56,-3.89,;23.94,-4.54,;24.08,-6.08,;25.2,-3.65,;26.59,-4.3,;26.73,-5.82,;28.14,-6.47,;28.28,-7.99,;27.03,-8.87,;29.69,-8.65,;27.86,-3.41,;27.73,-1.86,;29.25,-4.04,;30.51,-3.16,;30.38,-1.6,;31.63,-.73,;33.08,-1.2,;34,.04,;33.1,1.29,;31.63,.83,;31.9,-3.79,;33.17,-2.9,;32.03,-5.3,)| Show InChI InChI=1S/C68H105N21O17/c1-7-36(6)55(87-61(99)45(27-37-30-77-41-14-9-8-13-39(37)41)83-58(96)43(18-20-52(70)91)79-60(98)46(29-54(72)93)82-56(94)40(69)32-90)64(102)85-48(26-35(4)5)66(104)89-24-11-16-50(89)62(100)80-42(15-10-22-76-68(73)74)57(95)84-47(25-34(2)3)65(103)88-23-12-17-51(88)63(101)81-44(19-21-53(71)92)59(97)86-49(67(105)106)28-38-31-75-33-78-38/h8-9,13-14,30-31,33-36,40,42-51,55,77,90H,7,10-12,15-29,32,69H2,1-6H3,(H2,70,91)(H2,71,92)(H2,72,93)(H,75,78)(H,79,98)(H,80,100)(H,81,101)(H,82,94)(H,83,96)(H,84,95)(H,85,102)(H,86,97)(H,87,99)(H,105,106)(H4,73,74,76)/t36-,40-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human EphB2 receptor by isothermal titration calorimetry |
J Biol Chem 282: 36505-13 (2007)
Article DOI: 10.1074/jbc.M706340200
BindingDB Entry DOI: 10.7270/Q29C6X7S |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 2
(Homo sapiens (Human)) | BDBM50242414
(CHEMBL505364 | SNQWISPRLPQH)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r,wU:22.29,4.4,70.72,85.88,wD:39.41,31.37,8.20,2.2,46.47,55.58,59.61,81.85,94.97,(6.72,-34.41,;6.79,-35.94,;8.16,-36.66,;9.47,-35.83,;8.23,-38.2,;6.93,-39.02,;5.56,-38.32,;5.5,-36.77,;4.26,-39.14,;4.33,-40.68,;5.7,-41.4,;7.07,-40.7,;8.15,-41.81,;7.45,-43.17,;7.98,-44.6,;7.01,-45.79,;5.49,-45.54,;4.95,-44.1,;5.93,-42.92,;2.9,-38.43,;1.6,-39.26,;1.66,-40.8,;.23,-38.55,;.16,-37.01,;1.46,-36.17,;1.4,-34.64,;.03,-33.93,;2.69,-33.81,;-1.07,-39.37,;-2.43,-38.66,;-2.5,-37.13,;-3.74,-39.49,;-3.67,-41.04,;-2.3,-41.74,;-1,-40.92,;-2.23,-43.29,;-5.11,-38.78,;-6.4,-39.61,;-6.33,-41.15,;-7.77,-38.9,;-7.84,-37.36,;-9.07,-39.73,;-10.44,-39.02,;9.6,-38.9,;9.66,-40.45,;10.9,-38.08,;12.26,-38.79,;12.33,-40.33,;11.04,-41.16,;13.56,-37.96,;13.5,-36.42,;14.93,-38.67,;15.31,-40.31,;16.98,-40.46,;17.64,-38.93,;16.33,-38.11,;16.45,-36.57,;15.19,-35.69,;17.85,-35.92,;19.17,-36.72,;19.13,-38.26,;20.44,-39.07,;20.41,-40.6,;21.72,-41.4,;21.68,-42.95,;20.33,-43.69,;23,-43.75,;20.52,-35.98,;20.56,-34.44,;21.83,-36.78,;23.19,-36.05,;23.23,-34.51,;24.58,-33.77,;24.62,-32.23,;25.9,-34.57,;24.51,-36.85,;25.85,-36.12,;24.46,-38.39,;23.16,-39.45,;23.75,-41.02,;25.43,-40.94,;25.59,-39.41,;27.02,-38.84,;27.24,-37.31,;28.23,-39.8,;29.65,-39.24,;29.88,-37.72,;31.33,-37.15,;31.55,-35.64,;30.36,-34.7,;33,-35.07,;30.87,-40.2,;30.65,-41.74,;32.29,-39.64,;33.52,-40.6,;33.29,-42.14,;34.48,-43.09,;34.39,-44.65,;35.83,-45.19,;36.79,-43.99,;35.95,-42.71,;34.93,-40.04,;36.15,-41.01,;35.16,-38.54,)| Show InChI InChI=1S/C65H99N21O18/c1-5-33(4)52(84-58(97)42(24-34-27-74-38-12-7-6-11-36(34)38)80-55(94)40(16-18-49(67)89)76-57(96)43(26-51(69)91)79-53(92)37(66)29-87)61(100)83-46(30-88)63(102)86-22-10-15-48(86)59(98)77-39(13-8-20-73-65(70)71)54(93)81-44(23-32(2)3)62(101)85-21-9-14-47(85)60(99)78-41(17-19-50(68)90)56(95)82-45(64(103)104)25-35-28-72-31-75-35/h6-7,11-12,27-28,31-33,37,39-48,52,74,87-88H,5,8-10,13-26,29-30,66H2,1-4H3,(H2,67,89)(H2,68,90)(H2,69,91)(H,72,75)(H,76,96)(H,77,98)(H,78,99)(H,79,92)(H,80,94)(H,81,93)(H,82,95)(H,83,100)(H,84,97)(H,103,104)(H4,70,71,73)/t33-,37-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,52-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human EphB2 receptor by isothermal titration calorimetry |
J Biol Chem 282: 36505-13 (2007)
Article DOI: 10.1074/jbc.M706340200
BindingDB Entry DOI: 10.7270/Q29C6X7S |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 2
(Homo sapiens (Human)) | BDBM50242415
(CHEMBL504627 | SNQWIGPALPQH)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C61H90N18O17/c1-6-31(4)50(77-56(90)40(22-33-25-67-37-12-8-7-11-35(33)37)74-53(87)38(15-17-46(63)81)71-55(89)41(24-48(65)83)73-52(86)36(62)28-80)59(93)68-27-49(84)78-19-9-13-44(78)57(91)70-32(5)51(85)75-42(21-30(2)3)60(94)79-20-10-14-45(79)58(92)72-39(16-18-47(64)82)54(88)76-43(61(95)96)23-34-26-66-29-69-34/h7-8,11-12,25-26,29-32,36,38-45,50,67,80H,6,9-10,13-24,27-28,62H2,1-5H3,(H2,63,81)(H2,64,82)(H2,65,83)(H,66,69)(H,68,93)(H,70,91)(H,71,89)(H,72,92)(H,73,86)(H,74,87)(H,75,85)(H,76,88)(H,77,90)(H,95,96)/t31-,32-,36-,38-,39-,40-,41-,42-,43-,44-,45-,50-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human EphB2 receptor by isothermal titration calorimetry |
J Biol Chem 282: 36505-13 (2007)
Article DOI: 10.1074/jbc.M706340200
BindingDB Entry DOI: 10.7270/Q29C6X7S |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 2
(Homo sapiens (Human)) | BDBM50242406
(CHEMBL448652 | SNEWIQPRLPQH)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r,wU:22.29,4.4,73.75,88.91,wD:39.41,31.37,8.20,2.2,46.47,58.61,62.64,84.88,97.100,(6.11,-.72,;6.16,-2.26,;7.52,-2.99,;8.83,-2.19,;7.56,-4.54,;6.25,-5.35,;4.9,-4.62,;4.85,-3.07,;3.59,-5.43,;3.63,-6.97,;4.99,-7.7,;6.37,-7.03,;7.44,-8.15,;6.7,-9.49,;7.23,-10.95,;6.23,-12.12,;4.71,-11.85,;4.2,-10.39,;5.19,-9.22,;2.23,-4.7,;.91,-5.5,;.96,-7.04,;-.45,-4.77,;-.49,-3.23,;.82,-2.42,;.78,-.88,;-.58,-.15,;2.09,-.07,;-1.75,-5.58,;-3.11,-4.85,;-3.15,-3.31,;-4.42,-5.66,;-4.38,-7.2,;-3.02,-7.93,;-1.7,-7.12,;-2.97,-9.47,;-5.78,-4.92,;-7.09,-5.74,;-7.05,-7.27,;-8.44,-5,;-8.49,-3.47,;-9.75,-5.81,;-11.11,-5.08,;8.92,-5.27,;8.96,-6.81,;10.23,-4.46,;11.59,-5.19,;11.64,-6.73,;10.32,-7.54,;10.37,-9.08,;11.72,-9.81,;9.05,-9.89,;12.9,-4.38,;12.85,-2.84,;14.25,-5.11,;14.6,-6.76,;16.28,-6.94,;16.97,-5.41,;15.65,-4.56,;15.81,-3.04,;14.57,-2.14,;17.22,-2.4,;18.52,-3.23,;18.46,-4.76,;19.76,-5.59,;19.7,-7.12,;21.01,-7.95,;20.95,-9.49,;19.59,-10.2,;22.25,-10.31,;19.89,-2.51,;19.94,-.96,;21.19,-3.33,;22.55,-2.62,;22.62,-1.07,;23.98,-.35,;24.04,1.18,;25.28,-1.18,;23.85,-3.43,;25.22,-2.71,;23.8,-4.98,;22.47,-6.01,;23.05,-7.6,;24.72,-7.54,;24.9,-6.01,;26.35,-5.46,;26.59,-3.94,;27.53,-6.44,;28.97,-5.9,;29.22,-4.39,;30.68,-3.83,;30.92,-2.33,;29.74,-1.36,;32.37,-1.78,;30.18,-6.88,;29.92,-8.42,;31.6,-6.34,;32.81,-7.32,;32.56,-8.86,;33.74,-9.82,;33.63,-11.38,;35.06,-11.95,;36.04,-10.76,;35.22,-9.46,;34.23,-6.78,;35.44,-7.77,;34.48,-5.28,)| Show InChI InChI=1S/C67H101N21O19/c1-5-34(4)54(86-60(100)44(26-35-29-76-39-12-7-6-11-37(35)39)83-57(97)42(18-21-53(93)94)78-59(99)45(28-52(71)92)82-55(95)38(68)31-89)63(103)81-43(17-20-51(70)91)64(104)87-23-9-14-48(87)61(101)79-40(13-8-22-75-67(72)73)56(96)84-46(25-33(2)3)65(105)88-24-10-15-49(88)62(102)80-41(16-19-50(69)90)58(98)85-47(66(106)107)27-36-30-74-32-77-36/h6-7,11-12,29-30,32-34,38,40-49,54,76,89H,5,8-10,13-28,31,68H2,1-4H3,(H2,69,90)(H2,70,91)(H2,71,92)(H,74,77)(H,78,99)(H,79,101)(H,80,102)(H,81,103)(H,82,95)(H,83,97)(H,84,96)(H,85,98)(H,86,100)(H,93,94)(H,106,107)(H4,72,73,75)/t34-,38-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,54-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human EphB2 receptor by isothermal titration calorimetry |
J Biol Chem 282: 36505-13 (2007)
Article DOI: 10.1074/jbc.M706340200
BindingDB Entry DOI: 10.7270/Q29C6X7S |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 2
(Homo sapiens (Human)) | BDBM50242416
(CHEMBL508295 | TNYLFSPNGPIARAW)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:81.86,71.79,59.71,51.58,19.24,4.4,92.95,108.111,wD:79.83,40.50,34.38,27.27,8.7,2.2,87.91,103.107,(15.62,-43.8,;15.7,-42.27,;14.4,-41.43,;13.03,-42.13,;14.48,-39.89,;15.85,-39.19,;17.14,-40.03,;17.06,-41.57,;18.51,-39.32,;18.5,-37.78,;20.15,-37.52,;20.9,-39.02,;19.72,-40.2,;19.84,-41.74,;21.19,-42.48,;18.53,-42.53,;18.55,-44.07,;19.9,-44.81,;21.21,-44.02,;19.94,-46.35,;18.62,-47.14,;17.26,-46.4,;17.24,-44.86,;15.95,-47.19,;21.28,-47.09,;21.3,-48.63,;19.99,-49.42,;22.65,-49.37,;23.94,-48.5,;25.07,-49.73,;24.24,-51.19,;22.61,-50.88,;21.42,-51.83,;19.97,-51.24,;21.64,-53.37,;23.05,-53.93,;23.26,-55.43,;20.41,-54.33,;19,-53.76,;18.78,-52.22,;17.78,-54.72,;18,-56.22,;19.43,-56.8,;19.67,-58.3,;21.1,-58.86,;22.3,-57.91,;22.08,-56.39,;20.64,-55.82,;16.37,-54.15,;15.15,-55.11,;15.36,-56.62,;13.73,-54.54,;13.52,-53,;12.07,-52.42,;11.85,-50.92,;10.85,-53.38,;12.54,-55.48,;12.76,-57.02,;14.16,-57.59,;11.56,-57.96,;10.12,-57.38,;8.89,-58.34,;9.13,-59.87,;7.93,-60.83,;6.51,-60.27,;5.3,-61.22,;6.28,-58.75,;7.48,-57.79,;11.78,-59.46,;13.22,-60.04,;14.41,-59.11,;13.43,-61.55,;12.21,-62.51,;10.8,-61.94,;10.58,-60.44,;9.58,-62.9,;14.86,-62.13,;15.08,-63.65,;13.88,-64.6,;16.51,-64.23,;16.73,-65.74,;17.73,-63.27,;19.14,-63.84,;17.51,-61.73,;13.18,-39.06,;13.26,-37.52,;11.82,-39.76,;10.53,-38.93,;10.6,-37.39,;9.16,-39.63,;9.08,-41.17,;7.87,-38.79,;6.5,-39.49,;6.42,-41.03,;5.05,-41.74,;4.98,-43.27,;3.61,-43.97,;3.54,-45.51,;4.82,-46.35,;2.17,-46.21,;5.21,-38.67,;5.28,-37.13,;3.83,-39.37,;2.55,-38.53,;2.62,-36.99,;1.18,-39.23,;1.1,-40.77,;-.12,-38.4,;-1.48,-39.11,;-1.56,-40.64,;-2.93,-41.34,;-4.3,-40.64,;-5.38,-41.73,;-4.68,-43.1,;-5.22,-44.53,;-4.25,-45.72,;-2.74,-45.47,;-2.19,-44.05,;-3.16,-42.85,;-2.77,-38.27,;-4.14,-38.97,;-2.7,-36.73,)| Show InChI InChI=1S/C80H115N21O21/c1-8-41(4)65(77(119)90-43(6)66(108)91-51(21-14-28-86-80(84)85)69(111)89-42(5)67(109)97-57(79(121)122)34-47-37-87-50-20-13-12-19-49(47)50)99-75(117)59-22-15-29-100(59)63(107)38-88-68(110)55(35-61(81)105)95-74(116)60-23-16-30-101(60)78(120)58(39-102)98-72(114)53(32-45-17-10-9-11-18-45)93-70(112)52(31-40(2)3)92-71(113)54(33-46-24-26-48(104)27-25-46)94-73(115)56(36-62(82)106)96-76(118)64(83)44(7)103/h9-13,17-20,24-27,37,40-44,51-60,64-65,87,102-104H,8,14-16,21-23,28-36,38-39,83H2,1-7H3,(H2,81,105)(H2,82,106)(H,88,110)(H,89,111)(H,90,119)(H,91,108)(H,92,113)(H,93,112)(H,94,115)(H,95,116)(H,96,118)(H,97,109)(H,98,114)(H,99,117)(H,121,122)(H4,84,85,86)/t41-,42-,43-,44-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-,65-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human EphB2 receptor by isothermal titration calorimetry |
J Biol Chem 282: 36505-13 (2007)
Article DOI: 10.1074/jbc.M706340200
BindingDB Entry DOI: 10.7270/Q29C6X7S |
More data for this
Ligand-Target Pair | |
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