Found 64638 hits with Last Name = 'ni' and Initial = 'c' 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 |
|---|
Glutamyl aminopeptidase
(Sus scrofa) | BDBM50078120
((R)-1-{[(S)-2-((S)-1-Carboxy-1-methyl-2-phenyl-eth...)Show SMILES C[C@H]([NH3+])P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C22H29N2O5P/c1-16(23)30(28,29)15-19(13-17-9-5-3-6-10-17)20(25)24-22(2,21(26)27)14-18-11-7-4-8-12-18/h3-12,16,19H,13-15,23H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/p+1/t16-,19-,22+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| PubMed
| 0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was measured on pig kidney Aminopeptidase N (activity for A+B stereoisomer) |
Bioorg Med Chem Lett 9: 1511-6 (1999)
BindingDB Entry DOI: 10.7270/Q2H132JR |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50078120
((R)-1-{[(S)-2-((S)-1-Carboxy-1-methyl-2-phenyl-eth...)Show SMILES C[C@H]([NH3+])P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C22H29N2O5P/c1-16(23)30(28,29)15-19(13-17-9-5-3-6-10-17)20(25)24-22(2,21(26)27)14-18-11-7-4-8-12-18/h3-12,16,19H,13-15,23H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/p+1/t16-,19-,22+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was measured on pig kidney Aminopeptidase N (activity for C+D stereoisomer) |
Bioorg Med Chem Lett 9: 1511-6 (1999)
BindingDB Entry DOI: 10.7270/Q2H132JR |
More data for this
Ligand-Target Pair | |
Aminopeptidase B
(Mus musculus) | BDBM50078122
((R)-1-{[(S)-2-((S)-1-Carboxy-1-methyl-2-phenyl-eth...)Show SMILES C[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)CP(O)(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O Show InChI InChI=1S/C28H33N2O5P/c1-28(27(32)33,19-23-15-9-4-10-16-23)30-26(31)24(17-21-11-5-2-6-12-21)20-36(34,35)25(29)18-22-13-7-3-8-14-22/h2-16,24-25H,17-20,29H2,1H3,(H,30,31)(H,32,33)(H,34,35)/p+1/t24-,25-,28+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| >0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was measured on Aminopeptidase B using Arg p.NA as substrate |
Bioorg Med Chem Lett 9: 1511-6 (1999)
BindingDB Entry DOI: 10.7270/Q2H132JR |
More data for this
Ligand-Target Pair | |
Glutamyl aminopeptidase
(Sus scrofa) | BDBM50078122
((R)-1-{[(S)-2-((S)-1-Carboxy-1-methyl-2-phenyl-eth...)Show SMILES C[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)CP(O)(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O Show InChI InChI=1S/C28H33N2O5P/c1-28(27(32)33,19-23-15-9-4-10-16-23)30-26(31)24(17-21-11-5-2-6-12-21)20-36(34,35)25(29)18-22-13-7-3-8-14-22/h2-16,24-25H,17-20,29H2,1H3,(H,30,31)(H,32,33)(H,34,35)/p+1/t24-,25-,28+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was measured on Aminopeptidase using GluNA as substrate |
Bioorg Med Chem Lett 9: 1511-6 (1999)
BindingDB Entry DOI: 10.7270/Q2H132JR |
More data for this
Ligand-Target Pair | |
Aminopeptidase B
(Mus musculus) | BDBM50078120
((R)-1-{[(S)-2-((S)-1-Carboxy-1-methyl-2-phenyl-eth...)Show SMILES C[C@H]([NH3+])P(O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C22H29N2O5P/c1-16(23)30(28,29)15-19(13-17-9-5-3-6-10-17)20(25)24-22(2,21(26)27)14-18-11-7-4-8-12-18/h3-12,16,19H,13-15,23H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/p+1/t16-,19-,22+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| >0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was measured on Aminopeptidase B using Arg p.NA as substrate |
Bioorg Med Chem Lett 9: 1511-6 (1999)
BindingDB Entry DOI: 10.7270/Q2H132JR |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Sus scrofa (Pig)) | BDBM50078122
((R)-1-{[(S)-2-((S)-1-Carboxy-1-methyl-2-phenyl-eth...)Show SMILES C[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)CP(O)(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O Show InChI InChI=1S/C28H33N2O5P/c1-28(27(32)33,19-23-15-9-4-10-16-23)30-26(31)24(17-21-11-5-2-6-12-21)20-36(34,35)25(29)18-22-13-7-3-8-14-22/h2-16,24-25H,17-20,29H2,1H3,(H,30,31)(H,32,33)(H,34,35)/p+1/t24-,25-,28+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was measured on pig kidney Aminopeptidase N (activity for C+D stereoisomer) |
Bioorg Med Chem Lett 9: 1511-6 (1999)
BindingDB Entry DOI: 10.7270/Q2H132JR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50346374
(3-(2-(4-(naphthalen-1-yl)piperazin-1-yl)ethyl)benz...)Show SMILES O=c1n(CCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12 Show InChI InChI=1S/C23H23N5O/c29-23-20-9-3-4-10-21(20)24-25-28(23)17-14-26-12-15-27(16-13-26)22-11-5-7-18-6-1-2-8-19(18)22/h1-11H,12-17H2 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.000178 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Napoli Federico II
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex homogenates after 30 mins by liquid scintillation counting |
Eur J Med Chem 46: 2206-16 (2011)
Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50359960
(CHEMBL1927094)Show SMILES Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:14.14| Show InChI InChI=1S/C20H23ClN6/c21-17-5-3-6-18(15-17)27-13-11-26(12-14-27)10-4-9-24-20(25-16-22)19-7-1-2-8-23-19/h1-3,5-8,15H,4,9-14H2,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.000185 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Napoli"Federico II"
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting |
Eur J Med Chem 47: 520-9 (2012)
Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50359961
(CHEMBL1927095)Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:17.17| Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-5-3-6-18(15-17)30-13-11-29(12-14-30)10-4-9-27-20(28-16-25)19-7-1-2-8-26-19/h1-3,5-8,15H,4,9-14H2,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.000778 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Napoli"Federico II"
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting |
Eur J Med Chem 47: 520-9 (2012)
Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50359954
(CHEMBL1927088)Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:15.15| Show InChI InChI=1S/C21H26N6O/c1-28-20-9-3-2-8-19(20)27-15-13-26(14-16-27)12-6-11-24-21(25-17-22)18-7-4-5-10-23-18/h2-5,7-10H,6,11-16H2,1H3,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00157 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Napoli"Federico II"
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting |
Eur J Med Chem 47: 520-9 (2012)
Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50470113
(CHEMBL439134)Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1 Show InChI InChI=1S/C69H92FN11O11/c1-7-72-66(89)59-24-16-38-81(59)69(92)55(23-11-12-36-73-45(4)5)77-64(87)56(39-44(2)3)78-63(86)54(22-10-13-37-74-62(85)50-20-15-35-71-42-50)76-67(90)60(40-47-27-32-52(83)33-28-47)80(6)68(91)58(43-82)79-65(88)57(41-49-19-14-18-48-17-8-9-21-53(48)49)75-61(84)34-29-46-25-30-51(70)31-26-46/h8-9,14-15,17-21,25-28,30-33,35,42,44-45,54-60,73,82-83H,7,10-13,16,22-24,29,34,36-41,43H2,1-6H3,(H,72,89)(H,74,85)(H,75,84)(H,76,90)(H,77,87)(H,78,86)(H,79,88)/t54-,55+,56+,57+,58+,59-,60+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.00200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TAP Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor. |
J Med Chem 37: 701-5 (1994)
Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50595424
(CHEMBL5172865)Show SMILES Cn1nc(cc1COc1cccc(c1)[C@@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)C(=O)OCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:42.47,wD:14.16,19.20,(.73,4.28,;.18,2.84,;-1.31,2.44,;-1.39,.91,;.04,.35,;1.01,1.55,;2.55,1.47,;3.25,.1,;4.79,.01,;5.49,-1.36,;7.02,-1.44,;7.86,-.15,;7.16,1.22,;5.63,1.3,;8,2.51,;9.54,2.43,;10.24,1.06,;9.4,-.23,;11.78,.98,;12.48,-.4,;11.64,-1.69,;12.33,-3.06,;12.41,-1.64,;13.94,-1.9,;14.01,-.48,;14.71,-1.85,;13.87,-3.14,;7.31,3.89,;5.77,3.97,;5.07,5.34,;5.91,6.63,;7.45,6.55,;8.15,5.18,;-2.69,.07,;-2.61,-1.47,;-4.06,.77,;-5.35,-.07,;-6.72,.63,;-8.01,-.2,;-9.38,.5,;-10.68,-.34,;-12.05,.36,;-13.34,-.48,;-14.71,.22,;-13.26,-2.02,;-14.55,-2.86,;-14.47,-4.39,;-13.1,-5.09,;-13.02,-6.63,;-11.81,-4.26,;-10.44,-4.96,;-9.15,-4.12,;-7.77,-4.82,;-9.23,-2.58,;-10.6,-1.88,;-11.89,-2.72,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.00398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50595424
(CHEMBL5172865)Show SMILES Cn1nc(cc1COc1cccc(c1)[C@@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)C(=O)OCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:42.47,wD:14.16,19.20,(.73,4.28,;.18,2.84,;-1.31,2.44,;-1.39,.91,;.04,.35,;1.01,1.55,;2.55,1.47,;3.25,.1,;4.79,.01,;5.49,-1.36,;7.02,-1.44,;7.86,-.15,;7.16,1.22,;5.63,1.3,;8,2.51,;9.54,2.43,;10.24,1.06,;9.4,-.23,;11.78,.98,;12.48,-.4,;11.64,-1.69,;12.33,-3.06,;12.41,-1.64,;13.94,-1.9,;14.01,-.48,;14.71,-1.85,;13.87,-3.14,;7.31,3.89,;5.77,3.97,;5.07,5.34,;5.91,6.63,;7.45,6.55,;8.15,5.18,;-2.69,.07,;-2.61,-1.47,;-4.06,.77,;-5.35,-.07,;-6.72,.63,;-8.01,-.2,;-9.38,.5,;-10.68,-.34,;-12.05,.36,;-13.34,-.48,;-14.71,.22,;-13.26,-2.02,;-14.55,-2.86,;-14.47,-4.39,;-13.1,-5.09,;-13.02,-6.63,;-11.81,-4.26,;-10.44,-4.96,;-9.15,-4.12,;-7.77,-4.82,;-9.23,-2.58,;-10.6,-1.88,;-11.89,-2.72,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.00398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM86055
(SSR240600)Show SMILES CC(C)(C1CCN(CCC2(CN(CCO2)C(=O)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccc(Cl)c(Cl)c2)CC1)C(N)=O Show InChI InChI=1S/C31H35Cl2F6N3O3/c1-28(2,27(40)44)20-5-8-41(9-6-20)10-7-29(21-3-4-24(32)25(33)17-21)18-42(11-12-45-29)26(43)15-19-13-22(30(34,35)36)16-23(14-19)31(37,38)39/h3-4,13-14,16-17,20H,5-12,15,18H2,1-2H3,(H2,40,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 0.00430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-Synthélabo Recherche
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 303: 1171-9 (2002)
Article DOI: 10.1124/jpet.102.040162
BindingDB Entry DOI: 10.7270/Q23J3BJH |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM86055
(SSR240600)Show SMILES CC(C)(C1CCN(CCC2(CN(CCO2)C(=O)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccc(Cl)c(Cl)c2)CC1)C(N)=O Show InChI InChI=1S/C31H35Cl2F6N3O3/c1-28(2,27(40)44)20-5-8-41(9-6-20)10-7-29(21-3-4-24(32)25(33)17-21)18-42(11-12-45-29)26(43)15-19-13-22(30(34,35)36)16-23(14-19)31(37,38)39/h3-4,13-14,16-17,20H,5-12,15,18H2,1-2H3,(H2,40,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 0.00610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-Synthélabo Recherche
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 303: 1171-9 (2002)
Article DOI: 10.1124/jpet.102.040162
BindingDB Entry DOI: 10.7270/Q23J3BJH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50145591
(CHEMBL3765471)Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C25H26F2N4O.ClH/c26-22-5-1-19(2-6-22)24(20-3-7-23(27)8-4-20)31-17-15-30(16-18-31)14-13-29-25(32)21-9-11-28-12-10-21;/h1-12,24H,13-18H2,(H,29,32);1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00956 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Farmacia Universit£ di Napoli"Federico II"
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis |
Eur J Med Chem 110: 133-50 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50145612
(CHEMBL3764177)Show InChI InChI=1S/C17H22N6O/c24-16(15-3-8-18-9-4-15)19-7-2-10-22-11-13-23(14-12-22)17-20-5-1-6-21-17/h1,3-6,8-9H,2,7,10-14H2,(H,19,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00985 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Farmacia Universit£ di Napoli"Federico II"
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis |
Eur J Med Chem 110: 133-50 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9 |
More data for this
Ligand-Target Pair | |
Progonadoliberin-1
(RAT) | BDBM84726
(deslorelin)Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)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)[C@@H]1CCC(=O)N1 |r,wU:31.44,23.28,12.20,57.63,63.79,5.4,77.90,87.93,wD:45.57,(-8.25,5.5,;-8.21,4.01,;-6.91,3.28,;-6.91,1.76,;-5.56,.97,;-8.21,.86,;-9.55,1.3,;-10.59,.25,;-9.77,-1.09,;-8.21,-.6,;-6.97,-1.49,;-5.62,-.85,;-7.01,-3.06,;-8.43,-3.76,;-9.77,-2.88,;-11.13,-3.55,;-12.37,-2.75,;-13.77,-3.43,;-15.09,-2.58,;-13.89,-4.95,;-5.75,-3.91,;-4.4,-3.25,;-4.38,-1.66,;-3.12,-4.06,;-3.52,-5.56,;-2.46,-6.71,;-2.79,-8.25,;-.84,-7.09,;-1.7,-3.39,;-.45,-4.25,;-.33,-5.83,;.61,-3.28,;.76,-1.8,;-.23,-.66,;.18,.7,;-.73,1.73,;-2.18,1.46,;-3.12,2.52,;-4.51,2.21,;-4.98,.86,;-4.03,-.18,;-2.61,.1,;2.04,-3.86,;3.22,-2.91,;4.71,-3.45,;2.98,-1.4,;1.57,-.7,;1.7,.88,;.39,1.92,;.68,3.61,;2.13,4.32,;2.37,5.95,;3.43,3.26,;3.26,1.51,;4.09,-.39,;5.66,-.45,;6.38,.82,;6.32,-1.82,;5.59,-3.1,;6.26,-4.46,;7.87,-1.86,;8.66,-.54,;7.93,.8,;10.17,-.6,;10.89,-1.99,;10.45,-3.49,;9,-4.01,;9.07,-5.58,;10.52,-6,;11.2,-7.39,;12.75,-7.49,;13.62,-6.2,;12.93,-4.81,;11.38,-4.71,;10.95,.6,;10.29,1.94,;8.75,1.98,;11.11,3.26,;12.59,3.16,;13.35,1.86,;12.66,.45,;13.72,-.54,;15.09,.1,;14.84,1.64,;10.35,4.51,;8.83,4.51,;8.02,3.22,;8.02,5.91,;8.59,7.19,;7.54,8.25,;6.16,7.59,;4.77,8.19,;6.53,5.95,)| Show InChI InChI=1S/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69)/t45-,46-,47-,48-,49+,50-,51-,52-,53-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Med Chem 36: 363-9 (1993)
Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T |
More data for this
Ligand-Target Pair | |
Progonadoliberin-1
(RAT) | BDBM84707
(nafarelin)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)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)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |r,wU:41.56,65.70,23.34,74.80,88.96,wD:35.40,55.67,8.21,4.4,(4.31,-3.28,;5.62,-2.47,;6.98,-3.2,;5.58,-.92,;7.27,.05,;7.24,1.6,;5.89,2.38,;4.25,1.42,;5.89,3.78,;7.3,4.67,;8.68,4.11,;8.64,2.57,;9.96,1.77,;11.33,2.51,;12.66,1.72,;14.02,2.47,;14.04,4.01,;12.72,4.83,;11.36,4.07,;10.03,4.87,;4.65,4.7,;3.3,3.93,;3.3,2.31,;1.92,4.76,;1.92,6.36,;3.25,7.09,;4.54,6.36,;5.85,7.07,;5.85,8.62,;7.01,9.29,;4.55,9.38,;3.25,8.62,;.5,3.94,;-.84,4.7,;-.87,6.2,;-2.13,3.93,;-2.1,2.42,;-.79,1.7,;-3.45,4.64,;-4.69,3.8,;-4.62,2.07,;-6.14,4.56,;-6.14,6.66,;-7.38,7.5,;-7.54,9.01,;-9,9.32,;-9.76,8.03,;-11.24,7.72,;-11.7,6.27,;-10.72,5.17,;-9.23,5.47,;-8.74,6.92,;-7.5,3.63,;-8.71,4.41,;-8.64,5.92,;-9.94,3.67,;-9.94,2.17,;-8.64,1.41,;-7.14,1.48,;-6.6,.06,;-7.77,-.88,;-9.04,-.05,;-11.26,4.41,;-12.55,3.67,;-12.53,2.1,;-13.85,4.43,;-14.01,5.87,;-15.44,6.27,;-16.37,5.01,;-17.87,4.96,;-15.32,3.81,;8.64,-.67,;9.96,.12,;8.68,-2.21,;10,-2.98,;11.35,-2.2,;12.39,-3.01,;13.81,-2.21,;15.17,-3.2,;16.48,-2.17,;17.87,-2.85,;16.38,-.62,;10,-4.51,;8.68,-5.3,;11.36,-5.3,;12.78,-4.67,;13.81,-5.86,;13.05,-7.16,;11.52,-6.83,;10.37,-7.86,;10.7,-9.38,;8.9,-7.38,;7.75,-8.42,;6.28,-7.95,;5.95,-6.42,;5.11,-8.96,)| Show InChI InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Med Chem 36: 363-9 (1993)
Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM29611
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50246899
((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...)Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G |
Bioorg Med Chem Lett 20: 7222-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50470098
(CHEMBL2371296)Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:55.60,43.54,12.20,wD:31.41,23.28,5.4,61.64,(-4.86,4.47,;-3.76,3.4,;-4.14,1.91,;-3.04,.83,;-1.56,1.25,;-3.42,-.66,;-4.85,-1.23,;-4.76,-2.77,;-3.26,-3.15,;-2.44,-1.85,;-.9,-1.75,;-.22,-.37,;-.05,-3.03,;-.73,-4.41,;-2.27,-4.51,;-2.95,-5.89,;-4.49,-5.99,;-5.17,-7.37,;-6.71,-7.47,;-4.32,-8.65,;1.49,-2.93,;2.34,-4.21,;1.66,-5.59,;3.88,-4.12,;4.56,-2.74,;3.71,-1.45,;2.17,-1.55,;4.39,-.07,;4.73,-5.4,;6.27,-5.3,;6.95,-3.92,;7.12,-6.58,;6.44,-7.96,;4.9,-8.06,;4.05,-6.78,;2.51,-6.88,;1.83,-8.26,;.29,-8.35,;2.68,-9.54,;4.22,-9.44,;8.66,-6.48,;9.51,-7.76,;8.83,-9.14,;11.05,-7.66,;11.73,-6.28,;10.88,-5,;11.56,-3.62,;10.71,-2.34,;9.17,-2.44,;8.32,-1.16,;8.49,-3.82,;9.34,-5.1,;11.9,-8.95,;13.44,-8.85,;14.12,-7.47,;14.29,-10.13,;13.61,-11.51,;12.07,-11.61,;15.83,-10.03,;16.69,-11.31,;16,-12.69,;18.22,-11.21,;19.08,-12.5,;20.61,-12.4,;21.6,-13.58,;23.03,-13.01,;22.93,-11.48,;24,-10.37,;23.59,-8.89,;22.1,-8.51,;21.02,-9.61,;21.44,-11.1,;18.91,-9.83,;18.05,-8.55,;16.51,-8.65,;18.73,-7.17,;17.88,-5.89,;18.56,-4.51,;17.71,-3.23,;18.39,-1.85,;19.93,-1.75,;20.61,-.37,;20.78,-3.03,;20.1,-4.41,)| Show InChI InChI=1S/C60H77FN12O11/c1-4-64-58(83)51-12-8-28-73(51)59(84)45(11-7-27-65-60(62)63)68-53(78)46(29-35(2)3)69-54(79)47(30-37-15-22-41(75)23-16-37)70-55(80)48(31-38-17-24-42(76)25-18-38)71-57(82)50(34-74)72-56(81)49(32-39-33-66-44-10-6-5-9-43(39)44)67-52(77)26-19-36-13-20-40(61)21-14-36/h5-6,9-10,13-18,20-25,33,35,45-51,66,74-76H,4,7-8,11-12,19,26-32,34H2,1-3H3,(H,64,83)(H,67,77)(H,68,78)(H,69,79)(H,70,80)(H,71,82)(H,72,81)(H4,62,63,65)/t45-,46-,47+,48+,49+,50-,51+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TAP Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor. |
J Med Chem 37: 701-5 (1994)
Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50145613
(CHEMBL3764390)Show InChI InChI=1S/C21H26N4O3/c26-21(18-4-7-22-8-5-18)23-6-1-9-24-10-12-25(13-11-24)15-17-2-3-19-20(14-17)28-16-27-19/h2-5,7-8,14H,1,6,9-13,15-16H2,(H,23,26) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0113 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Farmacia Universit£ di Napoli"Federico II"
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis |
Eur J Med Chem 110: 133-50 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50470117
(CHEMBL264989)Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(F)cc1 |wU:57.63,12.20,wD:63.66,45.57,31.44,23.28,5.4,(20.41,-5.17,;20.43,-6.7,;19.11,-7.49,;17.76,-6.71,;16.46,-7.49,;17.73,-5.22,;18.94,-4.33,;18.43,-2.88,;16.89,-2.9,;16.47,-4.33,;15.14,-5.09,;15.14,-6.64,;13.8,-4.33,;13.82,-2.78,;15.15,-2.01,;15.18,-.48,;16.51,.28,;16.53,1.83,;17.86,2.58,;15.19,2.6,;12.48,-5.07,;11.15,-4.3,;11.16,-2.75,;9.81,-5.06,;9.79,-6.6,;11.13,-7.39,;12.45,-6.62,;11.09,-8.92,;8.47,-4.29,;7.13,-5.04,;7.13,-6.57,;5.81,-4.26,;5.84,-2.72,;5.36,-1.27,;3.9,-.78,;3.9,.76,;5.36,1.25,;6,2.63,;7.52,2.79,;8.44,1.55,;7.8,.13,;6.26,-.01,;4.49,-5.03,;3.14,-4.25,;3.14,-2.71,;1.8,-5,;1.8,-6.54,;3.13,-7.32,;4.46,-6.55,;5.8,-7.35,;5.78,-8.89,;7.1,-9.64,;4.45,-9.64,;3.1,-8.87,;.48,-4.22,;-.86,-4.97,;-.86,-6.52,;-2.18,-4.2,;-2.16,-2.67,;-.84,-1.91,;-3.51,-4.96,;-4.85,-4.19,;-4.83,-2.65,;-6.15,-4.93,;-6.43,-6.44,;-7.96,-6.64,;-8.62,-5.23,;-7.53,-4.17,;-8.3,-2.65,;-7.24,-1.36,;-9.62,-1.85,;-11.1,-2.72,;-12.62,-1.87,;-14.1,-2.74,;-15.57,-1.9,;-15.57,-.17,;-17.05,.76,;-14.1,.7,;-12.62,-.14,)| Show InChI InChI=1S/C56H75FN12O10/c1-4-60-53(77)46-13-9-27-69(46)55(79)41(12-7-25-61-56(58)59)63-49(73)42(28-33(2)3)64-51(75)44(30-36-31-62-40-11-6-5-10-39(36)40)66-50(74)43(29-35-17-22-38(71)23-18-35)65-52(76)45(32-70)67-54(78)47-14-8-26-68(47)48(72)24-19-34-15-20-37(57)21-16-34/h5-6,10-11,15-18,20-23,31,33,41-47,62,70-71H,4,7-9,12-14,19,24-30,32H2,1-3H3,(H,60,77)(H,63,73)(H,64,75)(H,65,76)(H,66,74)(H,67,78)(H4,58,59,61)/t41-,42-,43-,44+,45-,46+,47-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TAP Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor. |
J Med Chem 37: 701-5 (1994)
Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569290
(CHEMBL4871517)Show SMILES O[C@@H](CNCCCNC(=O)c1ccc(COc2cccc(c2)-c2ccc(cc2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:33.34,1.0,wD:28.30,(31.17,-6.07,;32.5,-6.84,;33.84,-6.06,;35.17,-6.83,;36.5,-6.05,;37.84,-6.82,;39.17,-6.05,;40.51,-6.81,;41.84,-6.04,;41.83,-4.5,;43.17,-6.8,;43.18,-8.34,;44.51,-9.11,;45.84,-8.33,;47.18,-9.1,;48.51,-8.32,;49.85,-9.08,;49.85,-10.62,;51.19,-11.38,;52.52,-10.61,;52.51,-9.06,;51.17,-8.3,;53.84,-8.28,;55.17,-9.04,;56.51,-8.27,;56.5,-6.72,;55.16,-5.96,;53.84,-6.74,;57.83,-5.94,;59.17,-6.7,;60.5,-5.92,;60.49,-4.38,;61.84,-6.69,;63.17,-5.91,;63.15,-4.38,;64.49,-3.61,;65.83,-4.37,;65.83,-5.91,;64.5,-6.68,;65.2,-5.33,;63.71,-4.93,;57.82,-4.4,;59.15,-3.63,;59.15,-2.09,;57.81,-1.33,;56.47,-2.11,;56.49,-3.65,;45.83,-6.78,;44.5,-6.02,;32.51,-8.38,;31.18,-9.15,;31.18,-10.69,;32.51,-11.46,;32.51,-13,;33.84,-10.69,;35.17,-11.46,;36.51,-10.69,;37.85,-11.46,;36.52,-9.14,;35.18,-8.36,;33.84,-9.14,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569290
(CHEMBL4871517)Show SMILES O[C@@H](CNCCCNC(=O)c1ccc(COc2cccc(c2)-c2ccc(cc2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:33.34,1.0,wD:28.30,(31.17,-6.07,;32.5,-6.84,;33.84,-6.06,;35.17,-6.83,;36.5,-6.05,;37.84,-6.82,;39.17,-6.05,;40.51,-6.81,;41.84,-6.04,;41.83,-4.5,;43.17,-6.8,;43.18,-8.34,;44.51,-9.11,;45.84,-8.33,;47.18,-9.1,;48.51,-8.32,;49.85,-9.08,;49.85,-10.62,;51.19,-11.38,;52.52,-10.61,;52.51,-9.06,;51.17,-8.3,;53.84,-8.28,;55.17,-9.04,;56.51,-8.27,;56.5,-6.72,;55.16,-5.96,;53.84,-6.74,;57.83,-5.94,;59.17,-6.7,;60.5,-5.92,;60.49,-4.38,;61.84,-6.69,;63.17,-5.91,;63.15,-4.38,;64.49,-3.61,;65.83,-4.37,;65.83,-5.91,;64.5,-6.68,;65.2,-5.33,;63.71,-4.93,;57.82,-4.4,;59.15,-3.63,;59.15,-2.09,;57.81,-1.33,;56.47,-2.11,;56.49,-3.65,;45.83,-6.78,;44.5,-6.02,;32.51,-8.38,;31.18,-9.15,;31.18,-10.69,;32.51,-11.46,;32.51,-13,;33.84,-10.69,;35.17,-11.46,;36.51,-10.69,;37.85,-11.46,;36.52,-9.14,;35.18,-8.36,;33.84,-9.14,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50145627
(CHEMBL3763812)Show InChI InChI=1S/C18H21FN4O/c19-16-3-1-2-4-17(16)23-13-11-22(12-14-23)10-9-21-18(24)15-5-7-20-8-6-15/h1-8H,9-14H2,(H,21,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Farmacia Universit£ di Napoli"Federico II"
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis |
Eur J Med Chem 110: 133-50 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50469862
(CHEMBL409219)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#7])=O Show InChI InChI=1S/C71H94ClN17O14/c1-40(2)32-53(62(95)83-52(16-10-29-78-70(74)75)69(102)89-31-11-17-58(89)66(99)80-41(3)60(73)93)84-61(94)51(15-9-30-79-71(76)103)82-67(100)59(37-44-21-26-50(92)27-22-44)88(5)68(101)57(39-90)87-65(98)56(36-46-12-8-28-77-38-46)86-64(97)55(34-43-19-24-49(72)25-20-43)85-63(96)54(81-42(4)91)35-45-18-23-47-13-6-7-14-48(47)33-45/h6-8,12-14,18-28,33,38,40-41,51-59,90,92H,9-11,15-17,29-32,34-37,39H2,1-5H3,(H2,73,93)(H,80,99)(H,81,91)(H,82,100)(H,83,95)(H,84,94)(H,85,96)(H,86,97)(H,87,98)(H4,74,75,78)(H3,76,79,103)/t41-,51-,52-,53-,54-,55-,56-,57-,58+,59-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
The negative logarithm of the concentration of antagonist that inhibits 50% of the binding of 125 I-labeled leuprolide to the rat pituitary LHRH rece... |
J Med Chem 36: 928-33 (1993)
Article DOI: 10.1021/jm00059a020
BindingDB Entry DOI: 10.7270/Q2Z03BW7 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569294
(CHEMBL4863525)Show SMILES O[C@@H](CNCCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:22.22,1.0,(-.19,-37.45,;1.15,-38.22,;2.48,-37.45,;3.82,-38.21,;5.15,-37.44,;6.49,-38.2,;7.82,-37.43,;9.15,-38.2,;10.48,-37.42,;11.82,-38.19,;13.15,-37.41,;14.49,-38.19,;14.48,-39.72,;15.82,-40.49,;17.15,-39.72,;17.14,-38.17,;15.8,-37.41,;18.47,-37.38,;19.81,-38.15,;21.14,-37.37,;21.13,-35.83,;22.48,-38.13,;23.81,-37.35,;23.79,-35.82,;25.13,-35.05,;26.47,-35.82,;26.47,-37.36,;25.14,-38.13,;25.84,-36.77,;24.35,-36.38,;18.46,-35.85,;19.79,-35.08,;19.79,-33.54,;18.45,-32.77,;17.12,-33.56,;17.13,-35.09,;1.16,-39.76,;-.18,-40.53,;-.18,-42.07,;1.16,-42.85,;1.16,-44.39,;2.49,-42.07,;3.82,-42.84,;5.16,-42.07,;6.49,-42.85,;5.16,-40.53,;3.82,-39.75,;2.49,-40.52,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569294
(CHEMBL4863525)Show SMILES O[C@@H](CNCCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:22.22,1.0,(-.19,-37.45,;1.15,-38.22,;2.48,-37.45,;3.82,-38.21,;5.15,-37.44,;6.49,-38.2,;7.82,-37.43,;9.15,-38.2,;10.48,-37.42,;11.82,-38.19,;13.15,-37.41,;14.49,-38.19,;14.48,-39.72,;15.82,-40.49,;17.15,-39.72,;17.14,-38.17,;15.8,-37.41,;18.47,-37.38,;19.81,-38.15,;21.14,-37.37,;21.13,-35.83,;22.48,-38.13,;23.81,-37.35,;23.79,-35.82,;25.13,-35.05,;26.47,-35.82,;26.47,-37.36,;25.14,-38.13,;25.84,-36.77,;24.35,-36.38,;18.46,-35.85,;19.79,-35.08,;19.79,-33.54,;18.45,-32.77,;17.12,-33.56,;17.13,-35.09,;1.16,-39.76,;-.18,-40.53,;-.18,-42.07,;1.16,-42.85,;1.16,-44.39,;2.49,-42.07,;3.82,-42.84,;5.16,-42.07,;6.49,-42.85,;5.16,-40.53,;3.82,-39.75,;2.49,-40.52,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50470118
(CHEMBL412751)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C67H88FN11O11/c1-42(2)37-54(63(86)75-53(21-9-10-34-71-43(3)4)67(90)79-36-14-22-57(79)60(69)83)76-62(85)52(20-8-11-35-72-61(84)48-18-13-33-70-40-48)74-65(88)58(38-45-25-30-50(81)31-26-45)78(5)66(89)56(41-80)77-64(87)55(39-47-17-12-16-46-15-6-7-19-51(46)47)73-59(82)32-27-44-23-28-49(68)29-24-44/h6-7,12-13,15-19,23-26,28-31,33,40,42-43,52-58,71,80-81H,8-11,14,20-22,27,32,34-39,41H2,1-5H3,(H2,69,83)(H,72,84)(H,73,82)(H,74,88)(H,75,86)(H,76,85)(H,77,87)/t52-,53+,54+,55+,56+,57-,58+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TAP Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor. |
J Med Chem 37: 701-5 (1994)
Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50359962
(CHEMBL1927096)Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ncccn1)c1ccccn1 |w:4.4| Show InChI InChI=1S/C18H22N8/c19-15-24-17(16-5-1-2-6-20-16)21-9-4-10-25-11-13-26(14-12-25)18-22-7-3-8-23-18/h1-3,5-8H,4,9-14H2,(H,21,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0161 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Napoli"Federico II"
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting |
Eur J Med Chem 47: 520-9 (2012)
Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50470080
(CHEMBL266475)Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:61.66,12.20,wD:23.28,31.46,5.4,67.70,48.50,(24.58,-7.94,;24.59,-9.48,;23.27,-10.25,;21.92,-9.5,;20.64,-10.25,;21.89,-8,;23.11,-7.1,;22.6,-5.68,;21.08,-5.68,;20.64,-7.12,;19.32,-7.87,;19.31,-9.4,;18,-7.1,;18.01,-5.56,;19.35,-4.81,;19.36,-3.28,;20.69,-2.51,;20.7,-.99,;22.02,-.24,;19.38,-.2,;16.66,-7.86,;15.35,-7.09,;15.35,-5.55,;14,-7.84,;14,-9.37,;15.31,-10.15,;16.65,-9.38,;15.3,-11.69,;12.68,-7.07,;11.36,-7.81,;11.34,-9.35,;10.04,-7.04,;10.12,-5.53,;8.92,-4.56,;9.41,-3.11,;8.08,-2.09,;8.74,-.71,;7.87,.6,;8.54,1.98,;6.32,.45,;5.46,1.73,;3.91,1.59,;3.25,.25,;4.15,-1.04,;5.66,-.91,;8.71,-7.81,;7.38,-7.03,;7.38,-5.5,;6.04,-7.77,;6.03,-9.31,;7.35,-10.08,;7.35,-11.62,;8.67,-12.39,;10.01,-11.66,;11.33,-12.42,;10.02,-10.12,;8.69,-9.34,;4.73,-7,;4.73,-5.46,;3.4,-7.74,;3.38,-9.3,;2.06,-6.97,;2.09,-5.46,;3.41,-4.69,;.74,-7.74,;-.6,-6.97,;-.57,-5.43,;-1.92,-7.71,;-1.95,-9.25,;-.61,-10.04,;.8,-9.41,;1.81,-10.57,;1.04,-11.88,;1.49,-13.36,;.46,-14.48,;-1.03,-14.16,;-1.5,-12.68,;-.47,-11.56,;-3.24,-6.96,;-4.58,-7.71,;-4.59,-9.22,;-5.92,-6.96,;-7.37,-7.87,;-8.88,-7.07,;-10.32,-7.99,;-11.84,-7.2,;-11.92,-5.46,;-13.4,-4.6,;-10.48,-4.57,;-8.95,-5.36,)| Show InChI InChI=1S/C64H85FN14O11/c1-5-69-60(87)53-18-12-32-79(53)63(90)49(17-11-31-71-64(66)67)75-58(85)50(33-39(2)3)76-57(84)48(16-8-9-30-70-56(83)42-13-10-29-68-36-42)74-61(88)54(34-41-21-26-45(81)27-22-41)78(4)62(89)52(38-80)77-59(86)51(35-43-37-72-47-15-7-6-14-46(43)47)73-55(82)28-23-40-19-24-44(65)25-20-40/h6-7,10,13-15,19-22,24-27,29,36-37,39,48-54,72,80-81H,5,8-9,11-12,16-18,23,28,30-35,38H2,1-4H3,(H,69,87)(H,70,83)(H,73,82)(H,74,88)(H,75,85)(H,76,84)(H,77,86)(H4,66,67,71)/t48-,49+,50+,51+,52+,53-,54+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TAP Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor. |
J Med Chem 37: 701-5 (1994)
Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50034110
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.0170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand |
J Med Chem 40: 1990-2002 (1997)
Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50470082
(CHEMBL408861)Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)C(Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,(25.92,-4.76,;25.93,-6.28,;24.61,-7.08,;23.26,-6.31,;21.98,-7.08,;23.23,-4.8,;24.45,-3.92,;23.94,-2.49,;22.42,-2.49,;21.98,-3.93,;20.66,-4.67,;20.65,-6.22,;19.33,-3.92,;19.34,-2.38,;20.68,-1.62,;20.69,-.08,;22.03,.68,;22.04,2.21,;23.36,2.98,;20.71,2.99,;17.99,-4.67,;16.67,-3.9,;16.67,-2.36,;15.32,-4.64,;15.32,-6.19,;16.64,-6.98,;16.63,-8.5,;17.98,-6.21,;14,-3.87,;12.67,-4.63,;12.65,-6.15,;11.35,-3.86,;11.36,-2.33,;10.88,-.87,;9.43,-.39,;9.43,1.16,;10.9,1.63,;11.52,3.02,;13.06,3.18,;13.96,1.95,;13.33,.54,;11.78,.38,;10.01,-4.61,;8.68,-3.84,;8.68,-2.29,;7.34,-4.6,;7.34,-6.12,;8.66,-6.91,;8.65,-8.46,;9.98,-9.23,;11.32,-8.47,;12.64,-9.24,;11.33,-6.93,;10,-6.15,;6.02,-3.81,;4.7,-4.57,;4.67,-6.12,;3.36,-3.79,;3.38,-2.26,;4.71,-1.51,;2.03,-4.55,;.69,-3.77,;.72,-2.25,;-.64,-4.53,;-.64,-6.08,;.68,-6.88,;2.04,-6.14,;3.36,-6.93,;3.29,-8.47,;1.96,-9.21,;1.94,-10.75,;.59,-11.49,;-.73,-10.71,;-.71,-9.17,;.64,-8.43,;-1.96,-3.77,;-3.3,-4.51,;-3.28,-6.05,;-4.65,-3.77,;-6.1,-4.73,;-7.62,-3.96,;-7.72,-2.23,;-9.25,-1.46,;-10.7,-2.39,;-12.19,-1.55,;-10.58,-4.13,;-9.06,-4.9,)| Show InChI InChI=1S/C64H79FN12O10/c1-4-68-62(86)55-19-11-31-77(55)63(87)49(18-10-30-69-64(66)67)72-57(81)50(32-38(2)3)73-60(84)53(35-43-36-70-48-17-8-7-16-47(43)48)75-58(82)51(33-40-22-27-45(79)28-23-40)74-61(85)54(37-78)76-59(83)52(34-42-14-9-13-41-12-5-6-15-46(41)42)71-56(80)29-24-39-20-25-44(65)26-21-39/h5-9,12-17,20-23,25-28,36,38,49-55,70,78-79H,4,10-11,18-19,24,29-35,37H2,1-3H3,(H,68,86)(H,71,80)(H,72,81)(H,73,84)(H,74,85)(H,75,82)(H,76,83)(H4,66,67,69)/t49-,50-,51-,52?,53+,54-,55+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TAP Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor. |
J Med Chem 37: 701-5 (1994)
Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50470097
(CHEMBL262235)Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.80,(30.87,-6.95,;30.88,-8.47,;29.57,-9.26,;28.22,-8.5,;26.93,-9.26,;28.18,-6.99,;29.41,-6.11,;28.89,-4.67,;27.37,-4.67,;26.93,-6.12,;25.61,-6.86,;25.6,-8.4,;24.28,-6.11,;24.29,-4.57,;25.63,-3.81,;25.64,-2.26,;26.98,-1.51,;26.99,.02,;28.31,.79,;25.66,.8,;22.94,-6.86,;21.62,-6.09,;21.62,-4.55,;20.27,-6.83,;20.27,-8.37,;21.59,-9.17,;21.58,-10.69,;22.93,-8.39,;18.95,-6.06,;17.62,-6.82,;17.6,-8.34,;16.31,-6.05,;16.32,-4.51,;15.83,-3.06,;14.39,-2.57,;14.39,-1.03,;15.85,-.56,;16.48,.84,;18.01,1,;18.91,-.24,;18.28,-1.65,;16.73,-1.81,;14.97,-6.8,;13.64,-6.02,;13.64,-4.48,;12.3,-6.79,;12.29,-8.31,;13.6,-9.1,;13.6,-10.62,;14.93,-11.42,;16.27,-10.66,;17.59,-11.43,;16.28,-9.11,;14.95,-8.34,;10.98,-5.99,;9.65,-6.75,;9.63,-8.31,;8.31,-5.98,;8.33,-4.45,;9.66,-3.7,;6.98,-6.73,;5.64,-5.96,;5.67,-4.44,;4.31,-6.72,;4.31,-8.27,;5.63,-9.07,;6.99,-8.33,;8.31,-9.11,;8.24,-10.66,;6.91,-11.4,;6.89,-12.94,;5.54,-13.68,;4.22,-12.9,;4.25,-11.35,;5.6,-10.61,;2.99,-5.96,;1.64,-6.7,;1.72,-8.21,;.26,-6.02,;-1.15,-7.02,;-2.7,-6.31,;-2.88,-4.61,;-4.43,-3.9,;-5.84,-4.9,;-7.36,-4.12,;-5.65,-6.6,;-4.11,-7.31,)| Show InChI InChI=1S/C64H79FN12O10/c1-4-68-62(86)55-19-11-31-77(55)63(87)49(18-10-30-69-64(66)67)72-57(81)50(32-38(2)3)73-60(84)53(35-43-36-70-48-17-8-7-16-47(43)48)75-58(82)51(33-40-22-27-45(79)28-23-40)74-61(85)54(37-78)76-59(83)52(34-42-14-9-13-41-12-5-6-15-46(41)42)71-56(80)29-24-39-20-25-44(65)26-21-39/h5-9,12-17,20-23,25-28,36,38,49-55,70,78-79H,4,10-11,18-19,24,29-35,37H2,1-3H3,(H,68,86)(H,71,80)(H,72,81)(H,73,84)(H,74,85)(H,75,82)(H,76,83)(H4,66,67,69)/t49-,50-,51-,52-,53+,54-,55+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TAP Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor. |
J Med Chem 37: 701-5 (1994)
Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50470086
(CHEMBL2369140)Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCc1ccc(Cl)cc1 |wU:57.63,12.20,63.76,wD:45.57,31.44,23.28,5.4,(27.37,-7.76,;27.37,-9.28,;26.05,-10.07,;24.72,-9.31,;23.41,-10.07,;24.68,-7.8,;25.89,-6.92,;25.37,-5.48,;23.86,-5.48,;23.43,-6.93,;22.09,-7.67,;22.09,-9.22,;20.77,-6.92,;20.77,-5.37,;22.12,-4.61,;22.12,-3.07,;23.47,-2.32,;23.47,-.78,;24.81,-.01,;22.15,,;19.44,-7.67,;18.1,-6.9,;18.12,-5.35,;16.77,-7.64,;16.75,-9.18,;18.09,-9.98,;18.07,-11.5,;19.42,-9.2,;15.43,-6.87,;14.11,-7.63,;14.1,-9.15,;12.79,-6.86,;12.79,-5.32,;12.33,-3.86,;10.86,-3.38,;10.86,-1.83,;12.34,-1.36,;12.95,.03,;14.49,.19,;15.39,-1.04,;14.75,-2.46,;13.23,-2.62,;11.46,-7.61,;10.12,-6.83,;10.12,-5.29,;8.76,-7.6,;8.76,-9.12,;10.08,-9.91,;11.44,-9.15,;12.76,-9.92,;12.76,-11.47,;14.08,-12.24,;11.4,-12.23,;10.08,-11.44,;7.45,-6.8,;6.13,-7.56,;6.09,-9.12,;4.8,-6.79,;4.81,-5.26,;6.13,-4.51,;3.45,-7.54,;2.12,-6.77,;2.13,-5.25,;.78,-7.53,;.78,-9.08,;2.1,-9.88,;3.45,-9.14,;4.77,-9.92,;4.73,-11.47,;6.06,-12.27,;3.38,-12.21,;2.07,-11.43,;-.54,-6.77,;-1.89,-7.51,;-1.82,-9.04,;-3.25,-6.82,;-4.67,-7.8,;-6.23,-7.06,;-7.63,-8.05,;-9.17,-7.32,;-9.33,-5.6,;-10.87,-4.8,;-7.92,-4.61,;-6.36,-5.35,)| Show InChI InChI=1S/C60H77ClN12O11/c1-4-64-58(83)51-12-8-28-73(51)59(84)45(11-7-27-65-60(62)63)68-53(78)46(29-35(2)3)69-56(81)49(32-39-33-66-44-10-6-5-9-43(39)44)71-55(80)48(31-38-17-24-42(76)25-18-38)70-57(82)50(34-74)72-54(79)47(30-37-15-22-41(75)23-16-37)67-52(77)26-19-36-13-20-40(61)21-14-36/h5-6,9-10,13-18,20-25,33,35,45-51,66,74-76H,4,7-8,11-12,19,26-32,34H2,1-3H3,(H,64,83)(H,67,77)(H,68,78)(H,69,81)(H,70,82)(H,71,80)(H,72,79)(H4,62,63,65)/t45-,46-,47+,48-,49+,50-,51+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TAP Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor. |
J Med Chem 37: 701-5 (1994)
Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50470099
(CHEMBL2371295)Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:55.60,12.20,wD:43.54,31.41,23.28,5.4,61.64,(27.36,-6,;27.38,-7.53,;26.06,-8.31,;24.72,-7.54,;23.42,-8.31,;24.69,-6.05,;25.9,-5.16,;25.38,-3.71,;23.85,-3.73,;23.43,-5.16,;22.1,-5.92,;22.08,-7.44,;20.76,-5.16,;20.78,-3.61,;22.11,-2.84,;22.14,-1.32,;23.47,-.56,;23.49,.99,;24.82,1.74,;22.15,1.76,;19.44,-5.9,;18.11,-5.13,;18.12,-3.58,;16.77,-5.89,;16.76,-7.43,;18.09,-8.22,;19.41,-7.44,;18.06,-9.75,;15.44,-5.12,;14.1,-5.87,;14.1,-7.4,;12.78,-5.09,;12.88,-3.57,;13.64,-2.23,;12.85,-.9,;13.59,.45,;15.15,.47,;15.9,1.82,;15.94,-.87,;15.19,-2.2,;11.46,-5.86,;10.11,-5.06,;10.11,-3.54,;8.78,-5.83,;8.78,-7.37,;10.1,-8.15,;10.08,-9.7,;11.42,-10.47,;12.75,-9.72,;14.07,-10.47,;12.77,-8.17,;11.43,-7.38,;7.46,-5.05,;6.12,-5.8,;6.11,-7.35,;4.8,-5.03,;4.8,-3.51,;6.12,-2.75,;3.45,-5.79,;2.13,-5.02,;2.16,-3.49,;.78,-5.77,;.78,-7.31,;2.1,-8.09,;3.52,-7.47,;4.55,-8.62,;3.76,-9.95,;4.23,-11.42,;3.2,-12.55,;1.68,-12.23,;1.22,-10.76,;2.26,-9.63,;-.54,-5,;-1.87,-5.76,;-1.79,-7.27,;-3.25,-5.08,;-4.65,-6.09,;-6.21,-5.38,;-7.61,-6.4,;-9.17,-5.71,;-9.35,-4,;-10.9,-3.22,;-7.97,-2.97,;-6.39,-3.68,)| Show InChI InChI=1S/C60H76ClFN12O10/c1-4-65-58(83)51-12-8-28-74(51)59(84)45(11-7-27-66-60(63)64)69-53(78)46(29-35(2)3)70-54(79)47(30-37-13-20-40(61)21-14-37)71-55(80)48(31-38-17-24-42(76)25-18-38)72-57(82)50(34-75)73-56(81)49(32-39-33-67-44-10-6-5-9-43(39)44)68-52(77)26-19-36-15-22-41(62)23-16-36/h5-6,9-10,13-18,20-25,33,35,45-51,67,75-76H,4,7-8,11-12,19,26-32,34H2,1-3H3,(H,65,83)(H,68,77)(H,69,78)(H,70,79)(H,71,80)(H,72,82)(H,73,81)(H4,63,64,66)/t45-,46-,47+,48-,49-,50-,51+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TAP Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor. |
J Med Chem 37: 701-5 (1994)
Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50162774
(ABT-199 | US11420968, Example ABT-199 | Venetoclax)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Normandie Univiversit�
Curated by ChEMBL
| Assay Description
Inhibition of wild-type BCL-2 (unknown origin) expressed in Escherichia coli BL21 cells using biotinylated BIMBH3 or BAXBH3 peptide by surface plasmo... |
J Med Chem 63: 928-943 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00983
BindingDB Entry DOI: 10.7270/Q2CV4N4T |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50595404
(CHEMBL5184455)Show SMILES O[C@@H](CNCCCCOC(=O)c1ccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:23.24,28.28,(-14.67,-1.16,;-13.33,-1.93,;-12,-1.16,;-10.67,-1.93,;-9.33,-1.16,;-8,-1.93,;-6.66,-1.16,;-5.33,-1.93,;-4,-1.16,;-2.66,-1.93,;-2.66,-3.47,;-1.33,-1.16,;.01,-1.93,;1.34,-1.16,;1.34,.38,;2.67,1.15,;4.01,.38,;5.34,1.15,;6.67,.39,;8,1.16,;8,2.69,;6.67,3.46,;5.34,2.69,;6.67,5,;8.01,5.77,;9.34,5,;9.34,3.46,;10.67,5.77,;12.01,5,;12.01,3.46,;13.34,2.69,;12.63,3.93,;14.05,4.54,;13.34,5.77,;14.67,5,;14.67,3.46,;5.34,5.77,;5.34,7.31,;4,8.08,;2.67,7.31,;2.67,5.77,;4,5,;-0,1.15,;-1.33,.38,;-13.33,-3.47,;-14.67,-4.24,;-14.67,-5.78,;-13.34,-6.54,;-13.34,-8.08,;-12,-5.77,;-10.67,-6.55,;-9.34,-5.77,;-8.01,-6.54,;-9.34,-4.24,;-10.67,-3.47,;-12,-4.24,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50595404
(CHEMBL5184455)Show SMILES O[C@@H](CNCCCCOC(=O)c1ccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:23.24,28.28,(-14.67,-1.16,;-13.33,-1.93,;-12,-1.16,;-10.67,-1.93,;-9.33,-1.16,;-8,-1.93,;-6.66,-1.16,;-5.33,-1.93,;-4,-1.16,;-2.66,-1.93,;-2.66,-3.47,;-1.33,-1.16,;.01,-1.93,;1.34,-1.16,;1.34,.38,;2.67,1.15,;4.01,.38,;5.34,1.15,;6.67,.39,;8,1.16,;8,2.69,;6.67,3.46,;5.34,2.69,;6.67,5,;8.01,5.77,;9.34,5,;9.34,3.46,;10.67,5.77,;12.01,5,;12.01,3.46,;13.34,2.69,;12.63,3.93,;14.05,4.54,;13.34,5.77,;14.67,5,;14.67,3.46,;5.34,5.77,;5.34,7.31,;4,8.08,;2.67,7.31,;2.67,5.77,;4,5,;-0,1.15,;-1.33,.38,;-13.33,-3.47,;-14.67,-4.24,;-14.67,-5.78,;-13.34,-6.54,;-13.34,-8.08,;-12,-5.77,;-10.67,-6.55,;-9.34,-5.77,;-8.01,-6.54,;-9.34,-4.24,;-10.67,-3.47,;-12,-4.24,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Progonadoliberin-1
(RAT) | BDBM84712
(deslorelin 2NMePhe | deslorelin 2Phe)Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC(=O)N1 |r,wU:31.44,23.28,12.20,57.63,63.79,5.4,77.91,89.95,wD:45.57,(-8.25,5.5,;-8.21,4.01,;-6.91,3.28,;-6.91,1.76,;-5.56,.97,;-8.21,.86,;-9.55,1.3,;-10.59,.25,;-9.77,-1.09,;-8.21,-.6,;-6.97,-1.49,;-5.62,-.85,;-7.01,-3.06,;-8.43,-3.76,;-9.77,-2.88,;-11.13,-3.55,;-12.37,-2.75,;-13.77,-3.43,;-15.09,-2.58,;-13.89,-4.95,;-5.75,-3.91,;-4.4,-3.25,;-4.38,-1.66,;-3.12,-4.06,;-3.52,-5.56,;-2.46,-6.71,;-2.79,-8.25,;-.84,-7.09,;-1.7,-3.39,;-.45,-4.25,;-.33,-5.83,;.61,-3.28,;.76,-1.8,;-.23,-.66,;.18,.7,;-.73,1.73,;-2.18,1.46,;-3.12,2.52,;-4.51,2.21,;-4.98,.86,;-4.03,-.18,;-2.61,.1,;2.04,-3.86,;3.22,-2.91,;4.71,-3.45,;2.98,-1.4,;1.57,-.7,;1.7,.88,;.39,1.92,;.68,3.61,;2.13,4.32,;2.37,5.95,;3.43,3.26,;3.26,1.51,;4.09,-.39,;5.66,-.45,;6.38,.82,;6.32,-1.82,;5.59,-3.1,;6.26,-4.46,;7.87,-1.86,;8.66,-.54,;7.93,.8,;10.17,-.6,;10.89,-1.99,;10.45,-3.49,;9,-4.01,;9.07,-5.58,;10.52,-6,;11.2,-7.39,;12.75,-7.49,;13.62,-6.2,;12.93,-4.81,;11.38,-4.71,;10.95,.6,;10.29,1.94,;8.75,1.98,;11.11,3.26,;12.59,3.16,;13.53,2.14,;13.13,.66,;14.22,-.43,;15.71,-.03,;16.11,1.45,;15.02,2.54,;10.35,4.51,;11.12,5.85,;8.83,4.51,;8.02,3.22,;8.02,5.91,;8.59,7.19,;7.54,8.25,;6.16,7.59,;4.77,8.19,;6.53,5.95,)| Show InChI InChI=1S/C68H87N15O12/c1-5-71-64(92)56-22-14-30-83(56)67(95)49(21-13-29-72-68(69)70)76-59(87)51(31-39(2)3)77-61(89)53(34-42-36-73-47-19-11-9-17-45(42)47)79-60(88)52(32-41-23-25-44(85)26-24-41)78-63(91)55(38-84)81-62(90)54(35-43-37-74-48-20-12-10-18-46(43)48)80-65(93)57(33-40-15-7-6-8-16-40)82(4)66(94)50-27-28-58(86)75-50/h6-12,15-20,23-26,36-37,39,49-57,73-74,84-85H,5,13-14,21-22,27-35,38H2,1-4H3,(H,71,92)(H,75,86)(H,76,87)(H,77,89)(H,78,91)(H,79,88)(H,80,93)(H,81,90)(H4,69,70,72)/t49-,50-,51-,52-,53+,54-,55-,56-,57-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Med Chem 36: 363-9 (1993)
Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T |
More data for this
Ligand-Target Pair | |
Progonadoliberin-1
(RAT) | BDBM84708
(deslorelin 31Nal)Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 |r,wU:31.44,23.28,12.20,57.63,63.80,5.4,78.91,88.94,wD:45.57,(-8.25,5.5,;-8.21,4.01,;-6.91,3.28,;-6.91,1.76,;-5.56,.97,;-8.21,.86,;-9.55,1.3,;-10.59,.25,;-9.77,-1.09,;-8.21,-.6,;-6.97,-1.49,;-5.62,-.85,;-7.01,-3.06,;-8.43,-3.76,;-9.77,-2.88,;-11.13,-3.55,;-12.37,-2.75,;-13.77,-3.43,;-15.09,-2.58,;-13.89,-4.95,;-5.75,-3.91,;-4.4,-3.25,;-4.38,-1.66,;-3.12,-4.06,;-3.52,-5.56,;-2.46,-6.71,;-2.79,-8.25,;-.84,-7.09,;-1.7,-3.39,;-.45,-4.25,;-.33,-5.83,;.61,-3.28,;.76,-1.8,;-.23,-.66,;.18,.7,;-.73,1.73,;-2.18,1.46,;-3.12,2.52,;-4.51,2.21,;-4.98,.86,;-4.03,-.18,;-2.61,.1,;2.04,-3.86,;3.22,-2.91,;4.71,-3.45,;2.98,-1.4,;1.57,-.7,;1.7,.88,;.39,1.92,;.68,3.61,;2.13,4.32,;2.37,5.95,;3.43,3.26,;3.26,1.51,;4.09,-.39,;5.66,-.45,;6.38,.82,;6.32,-1.82,;5.59,-3.1,;6.26,-4.46,;7.87,-1.86,;8.66,-.54,;7.93,.8,;10.17,-.6,;10.89,-1.99,;10.27,-3.14,;8.73,-3.13,;7.96,-4.47,;8.73,-5.8,;10.27,-5.8,;11.04,-7.14,;12.58,-7.14,;13.35,-5.8,;12.58,-4.47,;11.04,-4.47,;10.95,.6,;10.29,1.94,;8.75,1.98,;11.11,3.26,;12.59,3.16,;13.35,1.86,;12.66,.45,;13.72,-.54,;15.09,.1,;14.84,1.64,;10.35,4.51,;8.83,4.51,;8.02,3.22,;8.02,5.91,;8.59,7.19,;7.54,8.25,;6.16,7.59,;4.77,8.19,;6.53,5.95,)| Show InChI InChI=1S/C66H84N16O12/c1-4-70-64(93)55-19-11-27-82(55)65(94)48(18-10-26-71-66(67)68)75-58(87)49(28-37(2)3)76-60(89)52(31-41-33-72-46-17-8-7-16-45(41)46)79-59(88)50(29-38-20-22-43(84)23-21-38)77-63(92)54(35-83)81-61(90)51(30-40-14-9-13-39-12-5-6-15-44(39)40)78-62(91)53(32-42-34-69-36-73-42)80-57(86)47-24-25-56(85)74-47/h5-9,12-17,20-23,33-34,36-37,47-55,72,83-84H,4,10-11,18-19,24-32,35H2,1-3H3,(H,69,73)(H,70,93)(H,74,85)(H,75,87)(H,76,89)(H,77,92)(H,78,91)(H,79,88)(H,80,86)(H,81,90)(H4,67,68,71)/t47-,48-,49-,50-,51-,52+,53-,54-,55-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Med Chem 36: 363-9 (1993)
Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50470085
(CHEMBL438195)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O Show InChI InChI=1S/C70H93FN12O12/c1-43(2)38-56(65(90)79-55(22-10-11-35-74-44(3)4)70(95)83-37-15-23-59(83)67(92)76-45(5)62(72)87)80-64(89)54(21-9-12-36-75-63(88)50-19-14-34-73-41-50)78-68(93)60(39-47-26-31-52(85)32-27-47)82(6)69(94)58(42-84)81-66(91)57(40-49-18-13-17-48-16-7-8-20-53(48)49)77-61(86)33-28-46-24-29-51(71)30-25-46/h7-8,13-14,16-20,24-27,29-32,34,41,43-45,54-60,74,84-85H,9-12,15,21-23,28,33,35-40,42H2,1-6H3,(H2,72,87)(H,75,88)(H,76,92)(H,77,86)(H,78,93)(H,79,90)(H,80,89)(H,81,91)/t45-,54-,55+,56+,57+,58+,59-,60+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TAP Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor. |
J Med Chem 37: 701-5 (1994)
Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50470083
(CHEMBL267709)Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)cc1F |wU:61.66,12.20,wD:23.28,31.46,5.4,67.70,48.50,(22.09,-4.06,;22.09,-5.58,;20.77,-6.37,;19.44,-5.61,;18.13,-6.37,;19.41,-4.1,;20.61,-3.22,;20.09,-1.78,;18.58,-1.78,;18.15,-3.23,;16.81,-3.97,;16.81,-5.51,;15.49,-3.22,;15.49,-1.67,;16.84,-.91,;16.84,.63,;18.2,1.38,;18.2,2.92,;19.54,3.69,;16.88,3.7,;14.16,-3.97,;12.82,-3.2,;12.84,-1.65,;11.49,-3.94,;11.47,-5.48,;12.81,-6.28,;14.14,-5.5,;12.79,-7.8,;10.15,-3.17,;8.83,-3.93,;8.82,-5.45,;7.51,-3.15,;7.6,-1.62,;6.38,-.65,;6.89,.79,;5.55,1.82,;6.19,3.21,;5.32,4.51,;6,5.89,;3.78,4.37,;2.94,5.65,;1.36,5.53,;.71,4.15,;1.59,2.86,;3.12,2.99,;6.18,-3.91,;4.84,-3.13,;4.84,-1.59,;3.49,-3.89,;3.49,-5.42,;4.81,-6.21,;4.81,-7.76,;6.13,-8.53,;7.48,-7.77,;8.8,-8.54,;7.48,-6.22,;6.16,-5.45,;2.17,-3.1,;2.19,-1.56,;.85,-3.86,;.82,-5.42,;-.48,-3.09,;-.47,-1.56,;.85,-.8,;-1.82,-3.84,;-3.15,-3.07,;-3.14,-1.54,;-4.5,-3.83,;-4.51,-5.38,;-3.18,-6.16,;-1.76,-5.54,;-.74,-6.67,;-1.53,-8.01,;-1.06,-9.47,;-2.09,-10.6,;-3.59,-10.28,;-4.08,-8.82,;-3.03,-7.69,;-5.81,-3.07,;-7.17,-3.81,;-7.13,-5.34,;-8.52,-3.1,;-9.95,-4.06,;-11.51,-3.29,;-11.61,-1.58,;-13.15,-.82,;-14.58,-1.78,;-16.07,-.94,;-14.45,-3.51,;-12.93,-4.26,;-12.9,-5.99,)| Show InChI InChI=1S/C64H84F2N14O11/c1-5-70-60(88)53-18-12-30-80(53)63(91)49(17-11-29-72-64(67)68)76-58(86)50(31-38(2)3)77-57(85)48(16-8-9-28-71-56(84)41-13-10-27-69-35-41)75-61(89)54(32-39-19-24-44(82)25-20-39)79(4)62(90)52(37-81)78-59(87)51(33-42-36-73-47-15-7-6-14-45(42)47)74-55(83)26-22-40-21-23-43(65)34-46(40)66/h6-7,10,13-15,19-21,23-25,27,34-36,38,48-54,73,81-82H,5,8-9,11-12,16-18,22,26,28-33,37H2,1-4H3,(H,70,88)(H,71,84)(H,74,83)(H,75,89)(H,76,86)(H,77,85)(H,78,87)(H4,67,68,72)/t48-,49+,50+,51+,52+,53-,54+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TAP Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor. |
J Med Chem 37: 701-5 (1994)
Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50470084
(CHEMBL428299)Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(Cl)cc1 |wU:61.66,12.20,wD:23.28,31.46,5.4,67.70,48.50,(21.23,-6.64,;21.25,-8.17,;19.93,-8.96,;18.58,-8.2,;17.28,-8.96,;18.55,-6.69,;19.77,-5.8,;19.25,-4.36,;17.71,-4.36,;17.29,-5.81,;15.96,-6.56,;15.94,-8.1,;14.62,-5.8,;14.64,-4.26,;15.97,-3.49,;15.99,-1.95,;17.33,-1.19,;17.35,.34,;18.68,1.12,;16,1.13,;13.3,-6.56,;11.96,-5.78,;11.97,-4.23,;10.62,-6.52,;10.61,-8.07,;11.94,-8.87,;13.26,-8.09,;11.91,-10.39,;9.29,-5.75,;7.94,-6.51,;7.94,-8.04,;6.62,-5.74,;6.72,-4.2,;5.49,-3.24,;6.01,-1.78,;4.65,-.75,;5.32,.63,;4.46,1.93,;5.13,3.32,;2.88,1.79,;2.04,3.08,;.46,2.96,;-.18,1.58,;.71,.29,;2.24,.42,;5.29,-6.49,;3.94,-5.72,;3.94,-4.17,;2.61,-6.48,;2.59,-8.01,;3.91,-8.8,;3.91,-10.33,;5.26,-11.12,;6.59,-10.36,;7.91,-11.14,;6.61,-8.81,;5.27,-8.04,;1.29,-5.69,;1.3,-4.14,;-.05,-6.45,;-.06,-8.01,;-1.38,-5.68,;-1.38,-4.14,;-.03,-3.39,;-2.73,-6.43,;-4.05,-5.65,;-4.03,-4.13,;-5.41,-6.42,;-5.41,-7.96,;-4.08,-8.75,;-2.67,-8.13,;-1.63,-9.27,;-2.42,-10.61,;-1.96,-12.07,;-2.99,-13.2,;-4.5,-12.88,;-4.97,-11.41,;-3.92,-10.29,;-6.73,-5.65,;-8.05,-6.42,;-8.08,-7.93,;-9.38,-5.62,;-10.86,-6.52,;-12.37,-5.69,;-13.83,-6.59,;-15.34,-5.77,;-15.4,-4.04,;-17.04,-3.56,;-13.92,-3.14,;-12.4,-3.98,)| Show InChI InChI=1S/C64H85ClN14O11/c1-5-69-60(87)53-18-12-32-79(53)63(90)49(17-11-31-71-64(66)67)75-58(85)50(33-39(2)3)76-57(84)48(16-8-9-30-70-56(83)42-13-10-29-68-36-42)74-61(88)54(34-41-21-26-45(81)27-22-41)78(4)62(89)52(38-80)77-59(86)51(35-43-37-72-47-15-7-6-14-46(43)47)73-55(82)28-23-40-19-24-44(65)25-20-40/h6-7,10,13-15,19-22,24-27,29,36-37,39,48-54,72,80-81H,5,8-9,11-12,16-18,23,28,30-35,38H2,1-4H3,(H,69,87)(H,70,83)(H,73,82)(H,74,88)(H,75,85)(H,76,84)(H,77,86)(H4,66,67,71)/t48-,49+,50+,51+,52+,53-,54+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TAP Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor. |
J Med Chem 37: 701-5 (1994)
Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50470106
(CHEMBL413660)Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccc(F)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.76,(28.79,-5.89,;28.8,-7.42,;27.48,-8.2,;26.14,-7.43,;24.85,-8.2,;26.1,-5.94,;27.32,-5.06,;26.81,-3.61,;25.29,-3.63,;24.85,-5.06,;23.53,-5.82,;23.52,-7.34,;22.2,-5.06,;22.21,-3.51,;23.55,-2.74,;23.56,-1.22,;24.9,-.46,;24.91,1.08,;26.23,1.83,;23.59,1.85,;20.87,-5.79,;19.55,-5.02,;19.55,-3.48,;18.2,-5.78,;18.2,-7.33,;19.52,-8.11,;19.5,-9.64,;20.85,-7.34,;16.88,-5.01,;15.55,-5.76,;15.53,-7.29,;14.24,-4.99,;14.25,-3.45,;13.76,-2,;12.32,-1.52,;12.32,.02,;13.79,.5,;14.41,1.89,;15.94,2.05,;16.84,.8,;16.21,-.61,;14.66,-.75,;12.9,-5.75,;11.57,-4.96,;11.57,-3.44,;10.23,-5.73,;10.23,-7.26,;11.55,-8.04,;12.89,-7.27,;14.21,-8.07,;14.2,-9.61,;15.52,-10.36,;12.86,-10.36,;11.54,-9.59,;8.91,-4.95,;7.58,-5.7,;7.56,-7.24,;6.24,-4.93,;6.27,-3.41,;7.59,-2.65,;4.92,-5.69,;3.58,-4.92,;3.61,-3.38,;2.25,-5.67,;2.25,-7.21,;3.57,-8.01,;4.93,-7.27,;6.24,-8.07,;6.18,-9.61,;7.52,-10.41,;4.83,-10.35,;3.53,-9.55,;.93,-4.9,;-.41,-5.63,;-.41,-7.17,;-1.76,-4.9,;-3.2,-5.83,;-4.74,-5.04,;-6.16,-5.98,;-7.7,-5.18,;-7.78,-3.47,;-9.28,-2.61,;-6.33,-2.54,;-4.81,-3.32,)| Show InChI InChI=1S/C60H77FN12O11/c1-4-64-58(83)51-12-8-28-73(51)59(84)45(11-7-27-65-60(62)63)68-53(78)46(29-35(2)3)69-56(81)49(32-39-33-66-44-10-6-5-9-43(39)44)71-55(80)48(31-38-17-24-42(76)25-18-38)70-57(82)50(34-74)72-54(79)47(30-37-15-22-41(75)23-16-37)67-52(77)26-19-36-13-20-40(61)21-14-36/h5-6,9-10,13-18,20-25,33,35,45-51,66,74-76H,4,7-8,11-12,19,26-32,34H2,1-3H3,(H,64,83)(H,67,77)(H,68,78)(H,69,81)(H,70,82)(H,71,80)(H,72,79)(H4,62,63,65)/t45-,46-,47-,48-,49+,50-,51+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TAP Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor. |
J Med Chem 37: 701-5 (1994)
Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50470105
(CHEMBL405993)Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:60.65,12.20,wD:48.59,23.28,31.46,5.4,66.69,(29.35,-7.64,;29.38,-9.17,;28.05,-9.96,;26.71,-9.2,;25.41,-9.96,;26.68,-7.69,;27.89,-6.8,;27.38,-5.36,;25.84,-5.36,;25.42,-6.81,;24.09,-7.56,;24.07,-9.1,;22.74,-6.8,;22.77,-5.26,;24.1,-4.49,;24.12,-2.95,;25.45,-2.19,;25.47,-.66,;26.81,.12,;24.13,.13,;21.42,-7.56,;20.09,-6.78,;20.1,-5.23,;18.75,-7.52,;18.73,-9.07,;20.07,-9.87,;20.04,-11.39,;21.39,-9.09,;17.41,-6.75,;16.07,-7.51,;16.07,-9.04,;14.75,-6.74,;14.84,-5.2,;13.62,-4.24,;14.13,-2.78,;12.78,-1.75,;13.45,-.37,;12.59,.94,;13.25,2.32,;11.01,.8,;10.17,2.09,;8.59,1.96,;7.94,.58,;8.84,-.71,;10.36,-.56,;13.43,-7.49,;12.07,-6.72,;12.07,-5.17,;10.74,-7.48,;10.74,-9.01,;12.06,-9.8,;13.39,-9.04,;14.74,-9.81,;14.71,-11.36,;16.04,-12.14,;13.38,-12.12,;12.04,-11.35,;9.42,-6.69,;8.07,-7.45,;8.06,-9.01,;6.75,-6.67,;6.75,-5.14,;8.09,-4.39,;5.4,-7.43,;4.07,-6.65,;4.1,-5.13,;2.72,-7.42,;2.72,-8.96,;4.04,-9.75,;5.46,-9.13,;6.49,-10.26,;5.71,-11.61,;6.17,-13.07,;5.14,-14.2,;3.62,-13.88,;3.16,-12.41,;4.2,-11.29,;1.4,-6.65,;.06,-7.4,;.06,-8.93,;-1.28,-6.65,;-2.74,-7.58,;-4.28,-6.78,;-4.34,-5.06,;-5.87,-4.27,;-7.32,-5.19,;-8.82,-4.32,;-7.24,-6.91,;-5.71,-7.71,)| Show InChI InChI=1S/C63H83FN14O11/c1-4-68-61(88)53-17-11-31-78(53)62(89)48(16-10-30-70-63(65)66)74-57(84)49(32-38(2)3)75-56(83)47(15-7-8-29-69-55(82)41-12-9-28-67-35-41)73-58(85)50(33-40-20-25-44(80)26-21-40)76-60(87)52(37-79)77-59(86)51(34-42-36-71-46-14-6-5-13-45(42)46)72-54(81)27-22-39-18-23-43(64)24-19-39/h5-6,9,12-14,18-21,23-26,28,35-36,38,47-53,71,79-80H,4,7-8,10-11,15-17,22,27,29-34,37H2,1-3H3,(H,68,88)(H,69,82)(H,72,81)(H,73,85)(H,74,84)(H,75,83)(H,76,87)(H,77,86)(H4,65,66,70)/t47-,48+,49+,50+,51+,52+,53-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TAP Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor. |
J Med Chem 37: 701-5 (1994)
Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50469858
(CHEMBL268397)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1csc2ccccc12)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#7])=O Show InChI InChI=1S/C70H93Cl2N15O13S/c1-39(2)32-52(62(93)81-51(14-10-30-77-70(75)76)69(100)87-31-11-15-57(87)66(97)78-40(3)60(74)91)82-61(92)50(13-8-9-29-73)80-67(98)58(35-44-21-27-48(90)28-22-44)86(5)68(99)56(37-88)85-65(96)55(36-45-38-101-59-16-7-6-12-49(45)59)84-64(95)54(34-43-19-25-47(72)26-20-43)83-63(94)53(79-41(4)89)33-42-17-23-46(71)24-18-42/h6-7,12,16-28,38-40,50-58,88,90H,8-11,13-15,29-37,73H2,1-5H3,(H2,74,91)(H,78,97)(H,79,89)(H,80,98)(H,81,93)(H,82,92)(H,83,94)(H,84,95)(H,85,96)(H4,75,76,77)/t40-,50-,51-,52-,53-,54-,55-,56-,57+,58-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
The negative logarithm of the concentration of antagonist that inhibits 50% of the binding of 125 I-labeled leuprolide to the rat pituitary LHRH rece... |
J Med Chem 36: 928-33 (1993)
Article DOI: 10.1021/jm00059a020
BindingDB Entry DOI: 10.7270/Q2Z03BW7 |
More data for this
Ligand-Target Pair | |
Lutropin-choriogonadotropic hormone receptor
(Rattus norvegicus) | BDBM50230127
(CHEMBL407606)Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)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)[C@@H]1CCC(=O)N1 |wU:45.57,31.44,63.79,23.28,5.4,88.94,wD:57.63,77.91,12.20,(27.09,-8.95,;27.47,-10.44,;28.96,-10.86,;30.04,-11.96,;31.53,-11.6,;29.61,-13.45,;30.56,-14.67,;29.69,-15.95,;28.21,-15.53,;28.16,-13.97,;26.88,-13.11,;26.98,-11.58,;25.49,-13.78,;25.38,-15.33,;26.66,-16.2,;26.55,-17.73,;27.83,-18.59,;27.72,-20.13,;29,-21,;26.33,-20.8,;24.22,-12.92,;22.82,-13.6,;22.72,-15.13,;21.54,-12.73,;21.65,-11.2,;23.05,-10.52,;24.32,-11.38,;23.15,-8.98,;20.15,-13.41,;18.89,-12.55,;18.99,-11.01,;17.49,-13.23,;17.39,-14.76,;18.14,-16.08,;19.64,-16.43,;19.78,-17.94,;18.38,-18.56,;17.91,-20.01,;16.43,-20.33,;15.39,-19.17,;15.88,-17.73,;17.36,-17.42,;16.22,-12.36,;14.83,-13.03,;14.71,-14.57,;13.55,-12.17,;13.66,-10.62,;15.04,-9.95,;15.16,-8.42,;16.54,-7.74,;17.82,-8.6,;19.2,-7.93,;17.71,-10.14,;16.32,-10.81,;12.16,-12.85,;10.88,-11.97,;10.99,-10.44,;9.49,-12.65,;9.39,-14.19,;10.67,-15.06,;8.21,-11.79,;6.83,-12.46,;6.71,-14.01,;5.54,-11.6,;5.65,-10.07,;7.05,-9.39,;8.58,-9.18,;8.85,-7.67,;7.49,-6.93,;7.12,-5.44,;5.63,-5,;4.53,-6.07,;4.89,-7.56,;6.37,-8,;4.17,-12.27,;2.88,-11.41,;3,-9.87,;1.49,-12.09,;1.38,-13.62,;2.15,-14.95,;3.66,-14.95,;4.41,-16.27,;3.65,-17.59,;2.12,-17.59,;1.37,-16.26,;.22,-11.23,;-1.18,-11.9,;-1.28,-13.44,;-2.34,-11.11,;-2.34,-9.69,;-3.87,-9.46,;-4.55,-10.83,;-6.06,-11.09,;-3.45,-11.92,)| Show InChI InChI=1S/C67H85N15O12/c1-4-70-65(93)56-21-13-29-82(56)66(94)49(20-12-28-71-67(68)69)75-59(87)50(30-38(2)3)76-62(90)53(33-41-35-72-46-18-10-8-16-44(41)46)79-61(89)52(32-40-22-24-43(84)25-23-40)78-64(92)55(37-83)81-63(91)54(34-42-36-73-47-19-11-9-17-45(42)47)80-60(88)51(31-39-14-6-5-7-15-39)77-58(86)48-26-27-57(85)74-48/h5-11,14-19,22-25,35-36,38,48-56,72-73,83-84H,4,12-13,20-21,26-34,37H2,1-3H3,(H,70,93)(H,74,85)(H,75,87)(H,76,90)(H,77,86)(H,78,92)(H,79,89)(H,80,88)(H,81,91)(H4,68,69,71)/t48-,49-,50-,51-,52-,53+,54-,55-,56+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Negative logarithm of equilibrium dissociation constant in the rat pituitary luteinizing releasing hormone receptor binding assay |
J Med Chem 35: 3890-4 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7X6M |
More data for this
Ligand-Target Pair | |
Search and Browse
