Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50090001' 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 |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50090001
(CHEMBL3581248)Show SMILES [H][C@@]12Cc3cc(OC(C)C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r| Show InChI InChI=1S/C67H112N22O12/c1-7-39(5)53(87-52(91)37-80-56(93)44(69)35-42-25-27-43(90)28-26-42)62(99)86-50(36-41-18-10-9-11-19-41)60(97)85-49(34-38(3)4)59(96)83-46(21-14-30-77-65(71)72)57(94)82-47(22-15-31-78-66(73)74)58(95)88-54(40(6)8-2)63(100)84-48(23-16-32-79-67(75)76)64(101)89-33-17-24-51(89)61(98)81-45(55(70)92)20-12-13-29-68/h9-11,18-19,25-28,38-40,44-51,53-54,90H,7-8,12-17,20-24,29-37,68-69H2,1-6H3,(H2,70,92)(H,80,93)(H,81,98)(H,82,94)(H,83,96)(H,84,100)(H,85,97)(H,86,99)(H,87,91)(H,88,95)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t39?,40-,44-,45-,46-,47-,48-,49-,50-,51+,53+,54-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00365 BindingDB Entry DOI: 10.7270/Q2GX4GN3 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50090001
(CHEMBL3581248)Show SMILES [H][C@@]12Cc3cc(OC(C)C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r| Show InChI InChI=1S/C67H112N22O12/c1-7-39(5)53(87-52(91)37-80-56(93)44(69)35-42-25-27-43(90)28-26-42)62(99)86-50(36-41-18-10-9-11-19-41)60(97)85-49(34-38(3)4)59(96)83-46(21-14-30-77-65(71)72)57(94)82-47(22-15-31-78-66(73)74)58(95)88-54(40(6)8-2)63(100)84-48(23-16-32-79-67(75)76)64(101)89-33-17-24-51(89)61(98)81-45(55(70)92)20-12-13-29-68/h9-11,18-19,25-28,38-40,44-51,53-54,90H,7-8,12-17,20-24,29-37,68-69H2,1-6H3,(H2,70,92)(H,80,93)(H,81,98)(H,82,94)(H,83,96)(H,84,100)(H,85,97)(H,86,99)(H,87,91)(H,88,95)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t39?,40-,44-,45-,46-,47-,48-,49-,50-,51+,53+,54-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay |
J Nat Prod 78: 722-9 (2015)
Article DOI: 10.1021/np500893h BindingDB Entry DOI: 10.7270/Q23B61WB |
More data for this Ligand-Target Pair | |