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5 similar compounds to monomer 50227607

Compile data set for download or QSAR
Wt: 312.4
BDBM50227606
Wt: 506.4
BDBM50227614
Wt: 329.3
BDBM50223487
Wt: 433.4
BDBM50227612
Wt: 515.5
BDBM50227611

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50227606,50227614,50223487,50227612,50227611   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50223487
PNG
(9-fluoro-2-phenyl-3,6-dihydro-1,3,6-triaza-cyclope...)
Show SMILES Fc1ccc2c3[nH]c(nc3c3cc[nH]c(=O)c3c2c1)-c1ccccc1
Show InChI InChI=1S/C20H12FN3O/c21-12-6-7-13-15(10-12)16-14(8-9-22-20(16)25)18-17(13)23-19(24-18)11-4-2-1-3-5-11/h1-10H,(H,22,25)(H,23,24)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Chk1 expressed in baculovirus by time-resolved fluorescence assay


Bioorg Med Chem Lett 17: 6280-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.007
BindingDB Entry DOI: 10.7270/Q2W958ZJ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50223487
PNG
(9-fluoro-2-phenyl-3,6-dihydro-1,3,6-triaza-cyclope...)
Show SMILES Fc1ccc2c3[nH]c(nc3c3cc[nH]c(=O)c3c2c1)-c1ccccc1
Show InChI InChI=1S/C20H12FN3O/c21-12-6-7-13-15(10-12)16-14(8-9-22-20(16)25)18-17(13)23-19(24-18)11-4-2-1-3-5-11/h1-10H,(H,22,25)(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


Article DOI: 10.1016/j.bmc.2015.05.045
BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50227606
PNG
(CHEMBL42764)
Show SMILES CCCN(CCCOc1cccc(N)c1)CCc1ccccc1
Show InChI InChI=1S/C20H28N2O/c1-2-13-22(15-12-18-8-4-3-5-9-18)14-7-16-23-20-11-6-10-19(21)17-20/h3-6,8-11,17H,2,7,12-16,21H2,1H3
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n/an/a 469n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]haloperidol (HPD) binding to dopamine (DA) receptor of rat striatal membranes


J Med Chem 31: 1621-5 (1988)


Article DOI: 10.1021/jm00403a022
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50227612
PNG
(CHEMBL296912)
Show SMILES CCOC(=O)[C@H]1[C@@H](C(C(=O)OCC)=C(C)N=C1\C=C(/O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H27NO5/c1-4-31-25(29)22-17(3)27-20(16-21(28)18-12-8-6-9-13-18)24(26(30)32-5-2)23(22)19-14-10-7-11-15-19/h6-16,23-24,28H,4-5H2,1-3H3/b21-16-/t23-,24-/m1/s1
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n/an/a 913n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in the rat brain.


J Med Chem 31: 1659-64 (1988)


Article DOI: 10.1021/jm00403a030
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50227614
PNG
(CHEMBL46962)
Show SMILES CC1=C([C@H]([C@H](C(=O)c2ccccc2)C(\C=C(/O)c2ccccc2)=N1)c1ccccc1C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C28H21F3N2O4/c1-17-26(33(36)37)24(20-14-8-9-15-21(20)28(29,30)31)25(27(35)19-12-6-3-7-13-19)22(32-17)16-23(34)18-10-4-2-5-11-18/h2-16,24-25,34H,1H3/b23-16-/t24-,25+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in the rat brain.


J Med Chem 31: 1659-64 (1988)


Article DOI: 10.1021/jm00403a030
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50227611
PNG
(CHEMBL42133)
Show SMILES CCO\C(O)=C1\[C@H]([C@H](C(=O)OCC)\C(=C\C(=O)c2ccc(C)cc2)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C28H28F3NO5/c1-5-36-26(34)23-17(4)32-21(15-22(33)18-13-11-16(3)12-14-18)25(27(35)37-6-2)24(23)19-9-7-8-10-20(19)28(29,30)31/h7-15,24-25,34H,5-6H2,1-4H3/b21-15-,26-23+/t24-,25-/m1/s1
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n/an/a 414n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in the rat brain.


J Med Chem 31: 1659-64 (1988)


Article DOI: 10.1021/jm00403a030
More data for this
Ligand-Target Pair