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BDBM50051672 2-Phenyl-9-((R)-1-phenyl-ethyl)-9H-pyrimido[4,5-b]indol-4-ylamine::2-Phenyl-9-(1-phenyl-ethyl)-9H-1,3,9-triaza-fluoren-4-ylamine::CHEMBL79415

SMILES: C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1

InChI Key: InChIKey=VBCKEAQWAHLODG-MRXNPFEDSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50051672   
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))
BDBM50051672
PNG
(2-Phenyl-9-((R)-1-phenyl-ethyl)-9H-pyrimido[4,5-b]...)
Show SMILES C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C24H20N4/c1-16(17-10-4-2-5-11-17)28-20-15-9-8-14-19(20)21-22(25)26-23(27-24(21)28)18-12-6-3-7-13-18/h2-16H,1H3,(H2,25,26,27)/t16-/m1/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Radioligand binding assay for [3H]-PIA affinity towards Adenosine A1 receptor of rat cerebral cortical membrane


J Med Chem 39: 2482-91 (1996)


Article DOI: 10.1021/jm960011w
BindingDB Entry DOI: 10.7270/Q27H1HPH
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50051672
PNG
(2-Phenyl-9-((R)-1-phenyl-ethyl)-9H-pyrimido[4,5-b]...)
Show SMILES C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C24H20N4/c1-16(17-10-4-2-5-11-17)28-20-15-9-8-14-19(20)21-22(25)26-23(27-24(21)28)18-12-6-3-7-13-18/h2-16H,1H3,(H2,25,26,27)/t16-/m1/s1
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Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


Article DOI: 10.1021/jm0209580
BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50051672
PNG
(2-Phenyl-9-((R)-1-phenyl-ethyl)-9H-pyrimido[4,5-b]...)
Show SMILES C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C24H20N4/c1-16(17-10-4-2-5-11-17)28-20-15-9-8-14-19(20)21-22(25)26-23(27-24(21)28)18-12-6-3-7-13-18/h2-16H,1H3,(H2,25,26,27)/t16-/m1/s1
PDB
MMDB

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B.MOAD
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Article
PubMed
6.20E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Radioligand binding assay for [3H]-NECA affinity towards adenosine A2A receptor of rat striatum


J Med Chem 39: 2482-91 (1996)


Article DOI: 10.1021/jm960011w
BindingDB Entry DOI: 10.7270/Q27H1HPH
More data for this
Ligand-Target Pair