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BDBM50010300 (RS)3',6'-dihydroxy-5-[4-{2-[5-hydroxy-1,2,3,4-tetrahydro-2-naphthalenyl(propyl)amino]ethyl}anilino(thioxo)methylamino]spiro[1,3-dihydroisobenzofuran-1,9'-(9'H-xanthene)]-3-one::CHEMBL320526

SMILES: CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)cc1)C1CCc2c(O)cccc2C1

InChI Key: InChIKey=GUYDMNDOMIQYML-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50010300   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010300
PNG
((RS)3',6'-dihydroxy-5-[4-{2-[5-hydroxy-1,2,3,4-tet...)
Show SMILES CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C42H39N3O6S/c1-2-19-45(29-11-14-32-26(21-29)4-3-5-37(32)48)20-18-25-6-8-27(9-7-25)43-41(52)44-28-10-15-34-33(22-28)40(49)51-42(34)35-16-12-30(46)23-38(35)50-39-24-31(47)13-17-36(39)42/h3-10,12-13,15-17,22-24,29,46-48H,2,11,14,18-21H2,1H3,(H2,43,44,52)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
7n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50010300
PNG
((RS)3',6'-dihydroxy-5-[4-{2-[5-hydroxy-1,2,3,4-tet...)
Show SMILES CCCN(CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C42H39N3O6S/c1-2-19-45(29-11-14-32-26(21-29)4-3-5-37(32)48)20-18-25-6-8-27(9-7-25)43-41(52)44-28-10-15-34-33(22-28)40(49)51-42(34)35-16-12-30(46)23-38(35)50-39-24-31(47)13-17-36(39)42/h3-10,12-13,15-17,22-24,29,46-48H,2,11,14,18-21H2,1H3,(H2,43,44,52)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
340n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair