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BDBM50367863 CHEMBL604356

SMILES: OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)N=C=S)cc4)cc3)ncnc12

InChI Key: InChIKey=HQKRDVRPTVEVOT-IFEJDVHESA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50367863   
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
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367863
PNG
(CHEMBL604356)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)N=C=S)cc4)cc3)ncnc12
Show InChI InChI=1S/C36H36N10O6S2/c47-17-27-31(50)32(51)35(52-27)46-19-41-30-33(39-18-40-34(30)46)44-25-7-3-22(4-8-25)16-29(49)43-24-5-1-21(2-6-24)15-28(48)37-13-14-38-36(54)45-26-11-9-23(10-12-26)42-20-53/h1-12,18-19,27,31-32,35,47,50-51H,13-17H2,(H,37,48)(H,43,49)(H2,38,45,54)(H,39,40,44)/t27-,31-,32-,35?/m1/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.469n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367863
PNG
(CHEMBL604356)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)N=C=S)cc4)cc3)ncnc12
Show InChI InChI=1S/C36H36N10O6S2/c47-17-27-31(50)32(51)35(52-27)46-19-41-30-33(39-18-40-34(30)46)44-25-7-3-22(4-8-25)16-29(49)43-24-5-1-21(2-6-24)15-28(48)37-13-14-38-36(54)45-26-11-9-23(10-12-26)42-20-53/h1-12,18-19,27,31-32,35,47,50-51H,13-17H2,(H,37,48)(H,43,49)(H2,38,45,54)(H,39,40,44)/t27-,31-,32-,35?/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
0.470n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand


J Med Chem 35: 407-22 (1992)


Article DOI: 10.1021/jm00081a001
BindingDB Entry DOI: 10.7270/Q2Z89D1W
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50367863
PNG
(CHEMBL604356)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)N=C=S)cc4)cc3)ncnc12
Show InChI InChI=1S/C36H36N10O6S2/c47-17-27-31(50)32(51)35(52-27)46-19-41-30-33(39-18-40-34(30)46)44-25-7-3-22(4-8-25)16-29(49)43-24-5-1-21(2-6-24)15-28(48)37-13-14-38-36(54)45-26-11-9-23(10-12-26)42-20-53/h1-12,18-19,27,31-32,35,47,50-51H,13-17H2,(H,37,48)(H,43,49)(H2,38,45,54)(H,39,40,44)/t27-,31-,32-,35?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
191n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-ethyladenosine-5'-uronamide binding to Adenosine A2 receptor of rat striatal membrane


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair