Found 2 hits of Enzyme Inhibition Constant Data 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 |
|---|
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50133022
(CHEMBL413854 | Compound GnRH-PpIX)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(=O)CCCc1c(C)c2cc3[nH]c(cc4cc(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)c(C=C)c4C)c(C=C)c3C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)C1CC[C@H](N1)C(=O)NCC(N)=O Show InChI InChI=1S/C95H119N21O16/c1-9-60-50(5)55-37-56(60)39-71-53(8)63(27-32-85(122)123)76(106-71)43-75-62(52(7)73(108-75)42-72-51(6)61(10-2)74(38-55)107-72)18-15-22-83(120)100-33-14-13-20-68(88(126)112-77(35-49(3)4)90(128)110-66(21-16-34-101-95(97)98)86(124)67-28-29-69(105-67)87(125)103-46-82(96)119)111-91(129)78(36-54-23-25-59(118)26-24-54)113-94(132)81(47-117)116-92(130)79(40-57-44-102-65-19-12-11-17-64(57)65)114-93(131)80(41-58-45-99-48-104-58)115-89(127)70-30-31-84(121)109-70/h9-12,17,19,23-26,37-39,42-45,48-49,66-70,77-81,102,105,107-108,117-118H,1-2,13-16,18,20-22,27-36,40-41,46-47H2,3-8H3,(H2,96,119)(H,99,104)(H,100,120)(H,103,125)(H,109,121)(H,110,128)(H,111,129)(H,112,126)(H,113,132)(H,114,131)(H,115,127)(H,116,130)(H,122,123)(H4,97,98,101)/b55-38+,56-39+,71-39-,72-42-,73-42-,74-38-,75-43-,76-43-/t66-,67?,68-,69-,70?,77-,78-,79-,80-,81-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Ability to bind to Gonadotropin-releasing hormone receptor was evaluated invitro by displacement assay using [125I]-[D-Lys6]-GnRH as radioligand |
J Med Chem 46: 3965-74 (2003)
Article DOI: 10.1021/jm020535y
BindingDB Entry DOI: 10.7270/Q2N58KR5 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50133023
(CHEMBL405438 | Compound GnRH-PpIX-Antg)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(=O)CCCc1c(C)c2cc3[nH]c(cc4cc(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)c(C=C)c4C)c(C=C)c3C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)C1CC[C@H](N1)C(=O)NCC(N)=O Show InChI InChI=1S/C98H121N19O16/c1-9-63-53(5)59-43-60(63)45-74-56(8)66(32-37-88(123)124)79(107-74)48-78-65(55(7)76(109-78)47-75-54(6)64(10-2)77(44-59)108-75)23-18-27-86(121)102-38-17-16-25-71(91(127)113-80(40-52(3)4)93(129)111-69(26-19-39-103-98(100)101)89(125)70-33-34-72(106-70)90(126)105-50-85(99)120)112-94(130)82(42-58-28-30-62(119)31-29-58)115-97(133)84(51-118)117-96(132)83(46-61-49-104-68-24-15-14-22-67(61)68)116-95(131)81(41-57-20-12-11-13-21-57)114-92(128)73-35-36-87(122)110-73/h9-15,20-22,24,28-31,43-45,47-49,52,69-73,80-84,104,106,108-109,118-119H,1-2,16-19,23,25-27,32-42,46,50-51H2,3-8H3,(H2,99,120)(H,102,121)(H,105,126)(H,110,122)(H,111,129)(H,112,130)(H,113,127)(H,114,128)(H,115,133)(H,116,131)(H,117,132)(H,123,124)(H4,100,101,103)/b59-44+,60-45+,74-45-,75-47-,76-47-,77-44-,78-48-,79-48-/t69-,70?,71-,72-,73?,80-,81+,82-,83+,84-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Ability to bind to Gonadotropin-releasing hormone receptor was evaluated invitro by displacement assay using [125I]-[D-Lys6]-GnRH as radioligand |
J Med Chem 46: 3965-74 (2003)
Article DOI: 10.1021/jm020535y
BindingDB Entry DOI: 10.7270/Q2N58KR5 |
More data for this
Ligand-Target Pair | |
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