Found 6 hits with Last Name = 'fuselier' and Initial = 'ja' 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 |
|---|
Somatostatin receptor type 1/2/3/4/5
(Homo sapiens (Human)) | BDBM50008923
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Tulane University Health Sciences Center
Curated by ChEMBL
| Assay Description
Cytotoxic activity against human neuroblastoma IMR32 cells which over-express somatostatin receptors |
Bioorg Med Chem Lett 13: 799-803 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3PC3 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1/2/3/4/5
(Homo sapiens (Human)) | BDBM50222716
(CHEMBL2371535)Show SMILES [H][C@]1(NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC)NC(=O)[C@@H](CO)NC(=O)CN(CCN)C(=O)Oc1cc(\C=C/c2cc(OC)c(OC)c(OC)c2)ccc1OC)[C@@H](C)O Show InChI InChI=1S/C83H110N16O23S2/c1-8-9-19-55(90-78(112)60(41-100)88-68(105)40-99(32-31-85)83(117)122-65-35-49(26-29-64(65)118-4)22-23-50-36-66(119-5)71(121-7)67(37-50)120-6)73(107)91-58(34-48-24-27-52(104)28-25-48)76(110)94-61(42-101)79(113)95-62-43-123-124-44-63(81(115)97-69(45(2)102)72(86)106)96-82(116)70(46(3)103)98-74(108)56(21-15-30-84)89-77(111)59(38-51-39-87-54-20-14-13-18-53(51)54)93-75(109)57(92-80(62)114)33-47-16-11-10-12-17-47/h10-14,16-18,20,22-29,35-37,39,45-46,55-63,69-70,87,100-104H,8-9,15,19,21,30-34,38,40-44,84-85H2,1-7H3,(H2,86,106)(H,88,105)(H,89,111)(H,90,112)(H,91,107)(H,92,114)(H,93,109)(H,94,110)(H,95,113)(H,96,116)(H,97,115)(H,98,108)/b23-22-/t45-,46-,55+,56+,57+,58-,59-,60-,61-,62-,63-,69+,70+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Tulane University Health Sciences Center
Curated by ChEMBL
| Assay Description
Cytotoxic activity against human neuroblastoma IMR32 cells which over-express somatostatin receptors |
Bioorg Med Chem Lett 13: 799-803 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3PC3 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1/2/3/4/5
(Homo sapiens (Human)) | BDBM50222720
(CHEMBL2371563)Show SMILES [H][C@]1(NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC)NC(=O)[C@@H](CO)NC(=O)CN(CCNC)C(=O)O[C@]1(CC)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O)[C@@H](C)O Show InChI InChI=1S/C86H108N18O22S2/c1-6-8-21-58(94-78(117)63(40-105)91-68(110)39-103(31-30-89-5)85(124)126-86(7-2)55-36-67-71-51(34-49-19-12-14-22-56(49)92-71)38-104(67)83(122)54(55)42-125-84(86)123)73(112)95-61(33-48-25-27-52(109)28-26-48)76(115)98-64(41-106)79(118)99-65-43-127-128-44-66(81(120)101-69(45(3)107)72(88)111)100-82(121)70(46(4)108)102-74(113)59(24-16-29-87)93-77(116)62(35-50-37-90-57-23-15-13-20-53(50)57)97-75(114)60(96-80(65)119)32-47-17-10-9-11-18-47/h9-15,17-20,22-23,25-28,34,36-37,45-46,58-66,69-70,89-90,105-109H,6-8,16,21,24,29-33,35,38-44,87H2,1-5H3,(H2,88,111)(H,91,110)(H,93,116)(H,94,117)(H,95,112)(H,96,119)(H,97,114)(H,98,115)(H,99,118)(H,100,121)(H,101,120)(H,102,113)/t45-,46-,58+,59+,60+,61-,62-,63-,64-,65-,66-,69+,70+,86+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Tulane University Health Sciences Center
Curated by ChEMBL
| Assay Description
Cytotoxic activity against human neuroblastoma IMR32 cells which over-express somatostatin receptors |
Bioorg Med Chem Lett 13: 799-803 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3PC3 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1/2/3/4/5
(Homo sapiens (Human)) | BDBM50222719
(CHEMBL2371564)Show SMILES [H][C@]1(NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC)NC(=O)[C@@H](CO)NC(=O)CN(CCN(C)C)C(=O)O[C@]1(CC)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O)[C@@H](C)O Show InChI InChI=1S/C87H110N18O22S2/c1-7-9-22-59(94-79(118)64(41-106)91-69(111)40-104(32-31-103(5)6)86(125)127-87(8-2)56-37-68-72-52(35-50-20-13-15-23-57(50)92-72)39-105(68)84(123)55(56)43-126-85(87)124)74(113)95-62(34-49-26-28-53(110)29-27-49)77(116)98-65(42-107)80(119)99-66-44-128-129-45-67(82(121)101-70(46(3)108)73(89)112)100-83(122)71(47(4)109)102-75(114)60(25-17-30-88)93-78(117)63(36-51-38-90-58-24-16-14-21-54(51)58)97-76(115)61(96-81(66)120)33-48-18-11-10-12-19-48/h10-16,18-21,23-24,26-29,35,37-38,46-47,59-67,70-71,90,106-110H,7-9,17,22,25,30-34,36,39-45,88H2,1-6H3,(H2,89,112)(H,91,111)(H,93,117)(H,94,118)(H,95,113)(H,96,120)(H,97,115)(H,98,116)(H,99,119)(H,100,122)(H,101,121)(H,102,114)/t46-,47-,59+,60+,61+,62-,63-,64-,65-,66-,67-,70+,71+,87+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 571 | n/a | n/a | n/a | n/a | n/a | n/a |
Tulane University Health Sciences Center
Curated by ChEMBL
| Assay Description
Cytotoxic activity against human neuroblastoma IMR32 cells which over-express somatostatin receptors |
Bioorg Med Chem Lett 13: 799-803 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3PC3 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1/2/3/4/5
(Homo sapiens (Human)) | BDBM50222717
(CHEMBL2371567)Show SMILES [H][C@]1(NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC)NC(=O)[C@@H](CO)NC(=O)CN(CCCN)C(=O)O[C@]1(CC)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O)[C@@H](C)O Show InChI InChI=1S/C86H108N18O22S2/c1-5-7-21-58(94-78(117)63(40-105)91-68(110)39-103(31-16-30-88)85(124)126-86(6-2)55-36-67-71-51(34-49-19-11-13-22-56(49)92-71)38-104(67)83(122)54(55)42-125-84(86)123)73(112)95-61(33-48-25-27-52(109)28-26-48)76(115)98-64(41-106)79(118)99-65-43-127-128-44-66(81(120)101-69(45(3)107)72(89)111)100-82(121)70(46(4)108)102-74(113)59(24-15-29-87)93-77(116)62(35-50-37-90-57-23-14-12-20-53(50)57)97-75(114)60(96-80(65)119)32-47-17-9-8-10-18-47/h8-14,17-20,22-23,25-28,34,36-37,45-46,58-66,69-70,90,105-109H,5-7,15-16,21,24,29-33,35,38-44,87-88H2,1-4H3,(H2,89,111)(H,91,110)(H,93,116)(H,94,117)(H,95,112)(H,96,119)(H,97,114)(H,98,115)(H,99,118)(H,100,121)(H,101,120)(H,102,113)/t45-,46-,58+,59+,60+,61-,62-,63-,64-,65-,66-,69+,70+,86+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tulane University Health Sciences Center
Curated by ChEMBL
| Assay Description
Cytotoxic activity against human neuroblastoma IMR32 cells which over-express somatostatin receptors |
Bioorg Med Chem Lett 13: 799-803 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3PC3 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1/2/3/4/5
(Homo sapiens (Human)) | BDBM50222718
(CHEMBL2371562)Show SMILES [H][C@]1(NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC)NC(=O)[C@@H](CO)NC(=O)CN(CCO)C(=O)O[C@]1(CC)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O)[C@@H](C)O Show InChI InChI=1S/C85H105N17O23S2/c1-5-7-20-57(92-77(116)62(39-104)89-67(109)38-101(29-30-103)84(123)125-85(6-2)54-35-66-70-50(33-48-18-11-13-21-55(48)90-70)37-102(66)82(121)53(54)41-124-83(85)122)72(111)93-60(32-47-24-26-51(108)27-25-47)75(114)96-63(40-105)78(117)97-64-42-126-127-43-65(80(119)99-68(44(3)106)71(87)110)98-81(120)69(45(4)107)100-73(112)58(23-15-28-86)91-76(115)61(34-49-36-88-56-22-14-12-19-52(49)56)95-74(113)59(94-79(64)118)31-46-16-9-8-10-17-46/h8-14,16-19,21-22,24-27,33,35-36,44-45,57-65,68-69,88,103-108H,5-7,15,20,23,28-32,34,37-43,86H2,1-4H3,(H2,87,110)(H,89,109)(H,91,115)(H,92,116)(H,93,111)(H,94,118)(H,95,113)(H,96,114)(H,97,117)(H,98,120)(H,99,119)(H,100,112)/t44-,45-,57+,58+,59+,60-,61-,62-,63-,64-,65-,68+,69+,85+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tulane University Health Sciences Center
Curated by ChEMBL
| Assay Description
Cytotoxic activity against human neuroblastoma IMR32 cells which over-express somatostatin receptors |
Bioorg Med Chem Lett 13: 799-803 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3PC3 |
More data for this
Ligand-Target Pair | |
Search and Browse
