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Compile Data Set for Download or QSAR

Found 3047 hits with Last Name = 'pan' and Initial = 'p'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM16297
PNG
(5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...)
Show SMILES CCCCCCc1ccc(Oc2ccccc2)c(O)c1
Show InChI InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3
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0.0100n/an/an/an/an/an/a7.5n/a



Stony Brook University



Assay Description
ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).


Biochemistry 52: 4217-28 (2013)


Article DOI: 10.1021/bi400413c
BindingDB Entry DOI: 10.7270/Q2610XZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM97445
PNG
(PT119)
Show SMILES CCCCCCc1ccc(Oc2ccccc2C#N)c(O)c1
Show InChI InChI=1S/C19H21NO2/c1-2-3-4-5-8-15-11-12-19(17(21)13-15)22-18-10-7-6-9-16(18)14-20/h6-7,9-13,21H,2-5,8H2,1H3
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0.0100n/an/an/an/an/an/a7.5n/a



Stony Brook University



Assay Description
ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).


Biochemistry 52: 4217-28 (2013)


Article DOI: 10.1021/bi400413c
BindingDB Entry DOI: 10.7270/Q2610XZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.0100n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 622-8 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb14977.x
BindingDB Entry DOI: 10.7270/Q2BR8QP0
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM16296
PNG
(5-Pentyl-2-phenoxy-phenol | 5-pentyl-2-phenoxylphe...)
Show SMILES CCCCCc1ccc(Oc2ccccc2)c(O)c1
Show InChI InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3
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0.0400n/an/an/an/an/an/a7.5n/a



Stony Brook University



Assay Description
ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).


Biochemistry 52: 4217-28 (2013)


Article DOI: 10.1021/bi400413c
BindingDB Entry DOI: 10.7270/Q2610XZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
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0.0500n/an/an/an/an/an/a7.5n/a



Stony Brook University



Assay Description
ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).


Biochemistry 52: 4217-28 (2013)


Article DOI: 10.1021/bi400413c
BindingDB Entry DOI: 10.7270/Q2610XZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM97444
PNG
(PT443)
Show SMILES Oc1cc(Br)ccc1Oc1ccccc1C#N
Show InChI InChI=1S/C13H8BrNO2/c14-10-5-6-13(11(16)7-10)17-12-4-2-1-3-9(12)8-15/h1-7,16H
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0.0500n/an/an/an/an/an/a7.5n/a



Stony Brook University



Assay Description
ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).


Biochemistry 52: 4217-28 (2013)


Article DOI: 10.1021/bi400413c
BindingDB Entry DOI: 10.7270/Q2610XZJ
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM36540
PNG
(5-bromo-2-phenoxylphenol | PT103)
Show SMILES Oc1cc(Br)ccc1Oc1ccccc1
Show InChI InChI=1S/C12H9BrO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H
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0.0600n/an/an/an/an/an/a7.5n/a



Stony Brook University



Assay Description
ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).


Biochemistry 52: 4217-28 (2013)


Article DOI: 10.1021/bi400413c
BindingDB Entry DOI: 10.7270/Q2610XZJ
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM97443
PNG
(PT447)
Show SMILES Oc1cc(Cl)ccc1Oc1ccccc1C#N
Show InChI InChI=1S/C13H8ClNO2/c14-10-5-6-13(11(16)7-10)17-12-4-2-1-3-9(12)8-15/h1-7,16H
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0.0600n/an/an/an/an/an/a7.5n/a



Stony Brook University



Assay Description
ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).


Biochemistry 52: 4217-28 (2013)


Article DOI: 10.1021/bi400413c
BindingDB Entry DOI: 10.7270/Q2610XZJ
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM36543
PNG
(5-propyl-2-phenoxyphenol | PT02)
Show SMILES CCCc1ccc(Oc2ccccc2)c(O)c1
Show InChI InChI=1S/C15H16O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3
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0.0700n/an/an/an/an/an/a7.5n/a



Stony Brook University



Assay Description
ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).


Biochemistry 52: 4217-28 (2013)


Article DOI: 10.1021/bi400413c
BindingDB Entry DOI: 10.7270/Q2610XZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM16294
PNG
(2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...)
Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1
Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3
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US Patent
0.0900 -57.3n/an/an/an/an/a7.525



THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK

US Patent




US Patent US10071965 (2018)


BindingDB Entry DOI: 10.7270/Q2D79DFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM16294
PNG
(2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...)
Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1
Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3
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0.0900n/an/an/an/an/an/a7.5n/a



Stony Brook University



Assay Description
ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).


Biochemistry 52: 4217-28 (2013)


Article DOI: 10.1021/bi400413c
BindingDB Entry DOI: 10.7270/Q2610XZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM97441
PNG
(PT89)
Show SMILES Oc1cc(Cc2ccccc2)ccc1Oc1ccccc1
Show InChI InChI=1S/C19H16O2/c20-18-14-16(13-15-7-3-1-4-8-15)11-12-19(18)21-17-9-5-2-6-10-17/h1-12,14,20H,13H2
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0.100n/an/an/an/an/an/a7.5n/a



Stony Brook University



Assay Description
ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).


Biochemistry 52: 4217-28 (2013)


Article DOI: 10.1021/bi400413c
BindingDB Entry DOI: 10.7270/Q2610XZJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Homo sapiens (Human))
BDBM22925
PNG
((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |c:17|
Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of adenosine deaminase


J Med Chem 24: 1383-5 (1982)


BindingDB Entry DOI: 10.7270/Q22N52T8
More data for this
Ligand-Target Pair
Adenosine deaminase


(Homo sapiens (Human))
BDBM50367032
PNG
(COFORMYCIN)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |r,c:18|
Show InChI InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of adenosine deaminase


J Med Chem 24: 1383-5 (1982)


BindingDB Entry DOI: 10.7270/Q22N52T8
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM36539
PNG
(5-chloro-2-phenoxylphenol | PT52 | US10071965, Com...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccccc1
Show InChI InChI=1S/C12H9ClO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H
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US Patent
0.100 -57.1n/an/an/an/an/a7.525



THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK

US Patent




US Patent US10071965 (2018)


BindingDB Entry DOI: 10.7270/Q2D79DFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM97440
PNG
(PT68)
Show SMILES Oc1cc(CC=C)ccc1Oc1ccccc1
Show InChI InChI=1S/C15H14O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h2-5,7-11,16H,1,6H2
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0.110n/an/an/an/an/an/a7.5n/a



Stony Brook University



Assay Description
ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).


Biochemistry 52: 4217-28 (2013)


Article DOI: 10.1021/bi400413c
BindingDB Entry DOI: 10.7270/Q2610XZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM36539
PNG
(5-chloro-2-phenoxylphenol | PT52 | US10071965, Com...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccccc1
Show InChI InChI=1S/C12H9ClO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H
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0.120n/an/an/an/an/an/a7.5n/a



Stony Brook University



Assay Description
ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).


Biochemistry 52: 4217-28 (2013)


Article DOI: 10.1021/bi400413c
BindingDB Entry DOI: 10.7270/Q2610XZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM50373348
PNG
(CHEMBL264434 | PT13)
Show SMILES CCCCCCc1ccc(Oc2ccccc2N)c(O)c1
Show InChI InChI=1S/C18H23NO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8,19H2,1H3
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0.120n/an/an/an/an/an/a7.5n/a



Stony Brook University



Assay Description
ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).


Biochemistry 52: 4217-28 (2013)


Article DOI: 10.1021/bi400413c
BindingDB Entry DOI: 10.7270/Q2610XZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NPFF


(RAT)
BDBM86140
PNG
(CAS_123797 | NPFF | NSC_123797)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O
Show InChI InChI=1S/C54H76N14O10/c1-32(2)28-41(66-47(72)36(55)29-33-14-6-3-7-15-33)50(75)67-42(31-35-18-10-5-11-19-35)51(76)64-39(23-25-45(57)70)53(78)68-27-13-21-43(68)52(77)63-38(22-24-44(56)69)49(74)62-37(20-12-26-61-54(59)60)48(73)65-40(46(58)71)30-34-16-8-4-9-17-34/h3-11,14-19,32,36-43H,12-13,20-31,55H2,1-2H3,(H2,56,69)(H2,57,70)(H2,58,71)(H,62,74)(H,63,77)(H,64,76)(H,65,73)(H,66,72)(H,67,75)(H4,59,60,61)
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0.130n/an/an/an/an/an/an/an/a



Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062051
PNG
(1-Dimethylcarbamoyl-6-(4-fluoro-phenyl)-3-[4-(2-me...)
Show SMILES COC(=O)c1cc(cc2n(cc(C(=O)c3ccc(Cn4c(C)nc5cnccc45)cc3)c12)C(=O)N(C)C)-c1ccc(F)cc1
Show InChI InChI=1S/C34H28FN5O4/c1-20-37-28-17-36-14-13-29(28)39(20)18-21-5-7-23(8-6-21)32(41)27-19-40(34(43)38(2)3)30-16-24(22-9-11-25(35)12-10-22)15-26(31(27)30)33(42)44-4/h5-17,19H,18H2,1-4H3
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0.150n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062066
PNG
(3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-b...)
Show SMILES COC(=O)c1cccc2n(cc(C(=O)c3ccc(Cn4c(C)nc5cnccc45)cc3)c12)S(=O)(=O)C(C)C
Show InChI InChI=1S/C28H26N4O5S/c1-17(2)38(35,36)32-16-22(26-21(28(34)37-4)6-5-7-25(26)32)27(33)20-10-8-19(9-11-20)15-31-18(3)30-23-14-29-13-12-24(23)31/h5-14,16-17H,15H2,1-4H3
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM16294
PNG
(2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...)
Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1
Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3
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US Patent
0.200 -55.4n/an/an/an/an/a7.525



THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK

US Patent




US Patent US10071965 (2018)


BindingDB Entry DOI: 10.7270/Q2D79DFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM16294
PNG
(2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...)
Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1
Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3
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0.200 -55.4n/an/an/an/an/a7.525



THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK

US Patent




US Patent US10071965 (2018)


BindingDB Entry DOI: 10.7270/Q2D79DFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin (5-HT) receptor


(RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vivo for the antagonistic activity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 2: 1613-1618 (1992)


Article DOI: 10.1016/S0960-894X(00)80441-2
BindingDB Entry DOI: 10.7270/Q2J67HFB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.25n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 622-8 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb14977.x
BindingDB Entry DOI: 10.7270/Q2BR8QP0
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50133408
PNG
(CHEMBL3632844)
Show SMILES Nc1ccc(cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16N2O3S/c20-17-9-5-16(6-10-17)19(22)15-3-1-13(2-4-15)14-7-11-18(12-8-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)
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0.260n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.310n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 622-8 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb14977.x
BindingDB Entry DOI: 10.7270/Q2BR8QP0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.310n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 622-8 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb14977.x
BindingDB Entry DOI: 10.7270/Q2BR8QP0
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50133390
PNG
(CHEMBL3632826)
Show SMILES CC(C)(C)OC(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H19NO4S/c1-17(2,3)22-16(19)14-6-4-12(5-7-14)13-8-10-15(11-9-13)23(18,20)21/h4-11H,1-3H3,(H2,18,20,21)
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0.340n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50286027
PNG
(6-(4-Fluoro-phenyl)-3-[[(Z)-hydroxyimino]-((R)-3-p...)
Show SMILES CN(C)C(=O)n1cc(C(N=O)c2ccn3[C@H](SCc23)c2cccnc2)c2ccc(cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H24FN5O2S/c1-33(2)29(36)35-16-24(22-10-7-19(14-25(22)35)18-5-8-21(30)9-6-18)27(32-37)23-11-13-34-26(23)17-38-28(34)20-4-3-12-31-15-20/h3-16,27-28H,17H2,1-2H3/t27?,28-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for platelet activating factor receptor using [3H]-PAF in rabbit platelet membranes


Bioorg Med Chem Lett 5: 2913-2918 (1995)


Article DOI: 10.1016/0960-894X(95)00511-Q
BindingDB Entry DOI: 10.7270/Q2NC6157
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM36542
PNG
(5-methyl-2-phenoxylphenol | PT53 | US10071965, Com...)
Show SMILES Cc1ccc(Oc2ccccc2)c(O)c1
Show InChI InChI=1S/C13H12O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-9,14H,1H3
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0.380n/an/an/an/an/an/a7.5n/a



Stony Brook University



Assay Description
ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).


Biochemistry 52: 4217-28 (2013)


Article DOI: 10.1021/bi400413c
BindingDB Entry DOI: 10.7270/Q2610XZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM36542
PNG
(5-methyl-2-phenoxylphenol | PT53 | US10071965, Com...)
Show SMILES Cc1ccc(Oc2ccccc2)c(O)c1
Show InChI InChI=1S/C13H12O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-9,14H,1H3
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US Patent
0.380 -53.8n/an/an/an/an/a7.525



THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK

US Patent




US Patent US10071965 (2018)


BindingDB Entry DOI: 10.7270/Q2D79DFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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0.390n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 622-8 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb14977.x
BindingDB Entry DOI: 10.7270/Q2BR8QP0
More data for this
Ligand-Target Pair
Adenosine deaminase


(Homo sapiens (Human))
BDBM50034908
PNG
((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...)
Show SMILES CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of adenosine deaminase


J Med Chem 24: 1383-5 (1982)


BindingDB Entry DOI: 10.7270/Q22N52T8
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50048485
PNG
((S)-4-Methyl-2-{methyl-[4-(2-methyl-imidazo[4,5-c]...)
Show SMILES CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc23)cc1
Show InChI InChI=1S/C23H30N4O4S/c1-6-31-23(28)22(13-16(2)3)26(5)32(29,30)19-9-7-18(8-10-19)15-27-17(4)25-20-14-24-12-11-21(20)27/h7-12,14,16,22H,6,13,15H2,1-5H3/t22-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity against PAF receptor in rabbit platelet


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50048485
PNG
((S)-4-Methyl-2-{methyl-[4-(2-methyl-imidazo[4,5-c]...)
Show SMILES CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc23)cc1
Show InChI InChI=1S/C23H30N4O4S/c1-6-31-23(28)22(13-16(2)3)26(5)32(29,30)19-9-7-18(8-10-19)15-27-17(4)25-20-14-24-12-11-21(20)27/h7-12,14,16,22H,6,13,15H2,1-5H3/t22-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity against PAF receptor in rabbit platelet


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50133394
PNG
(CHEMBL3632830)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H10N2O4S/c13-19(17,18)12-7-3-10(4-8-12)9-1-5-11(6-2-9)14(15)16/h1-8H,(H2,13,17,18)
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0.410n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50133400
PNG
(CHEMBL3632836)
Show SMILES COC(=O)c1ccc(cc1)C(O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1/C21H19NO5S/c1-27-21(24)18-8-6-17(7-9-18)20(23)16-4-2-14(3-5-16)15-10-12-19(13-11-15)28(22,25)26/h2-13,20,23H,1H3,(H2,22,25,26)
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0.420n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM97446
PNG
(PT162)
Show SMILES Cc1ccccc1Oc1ccc(CCc2ccccc2)cc1O
Show InChI InChI=1S/C21H20O2/c1-16-7-5-6-10-20(16)23-21-14-13-18(15-19(21)22)12-11-17-8-3-2-4-9-17/h2-10,13-15,22H,11-12H2,1H3
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0.5n/an/an/an/an/an/a7.5n/a



Stony Brook University



Assay Description
ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).


Biochemistry 52: 4217-28 (2013)


Article DOI: 10.1021/bi400413c
BindingDB Entry DOI: 10.7270/Q2610XZJ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062069
PNG
(4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-y...)
Show SMILES COC(=O)c1[nH]c2cccc(OC)c2c1C(=O)c1ccc(Cn2c(C)nc3cnccc23)cc1
Show InChI InChI=1S/C26H22N4O4/c1-15-28-19-13-27-12-11-20(19)30(15)14-16-7-9-17(10-8-16)25(31)23-22-18(5-4-6-21(22)33-2)29-24(23)26(32)34-3/h4-13,29H,14H2,1-3H3
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0.510n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062101
PNG
(4-Ethynyl-3-[3-fluoro-4-(2-methyl-imidazo[4,5-c]py...)
Show SMILES CNC(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)c(F)c2)c2c(cccc12)C#C
Show InChI InChI=1S/C27H20FN5O2/c1-4-17-6-5-7-24-25(17)20(15-33(24)27(35)29-3)26(34)18-8-9-19(21(28)12-18)14-32-16(2)31-22-13-30-11-10-23(22)32/h1,5-13,15H,14H2,2-3H3,(H,29,35)
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0.630n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062056
PNG
(1-Dimethylcarbamoyl-3-{2-[4-(2-methyl-imidazo[4,5-...)
Show SMILES COC(=O)c1cccc2n(cc(C(=O)Cc3ccc(cc3)-n3c(C)nc4cnccc34)c12)C(=O)N(C)C
Show InChI InChI=1S/C28H25N5O4/c1-17-30-22-15-29-13-12-23(22)33(17)19-10-8-18(9-11-19)14-25(34)21-16-32(28(36)31(2)3)24-7-5-6-20(26(21)24)27(35)37-4/h5-13,15-16H,14H2,1-4H3
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0.630n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50062061
PNG
(1-(3,3-Dimethyl-2-oxo-butyl)-3-[4-(2-methyl-imidaz...)
Show SMILES COC(=O)c1cccc2n(CC(=O)C(C)(C)C)cc(C(=O)c3ccc(Cn4c(C)nc5cnccc45)cc3)c12
Show InChI InChI=1S/C31H30N4O4/c1-19-33-24-15-32-14-13-25(24)35(19)16-20-9-11-21(12-10-20)29(37)23-17-34(18-27(36)31(2,3)4)26-8-6-7-22(28(23)26)30(38)39-5/h6-15,17H,16,18H2,1-5H3
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0.670n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes


J Med Chem 41: 74-95 (1998)


Article DOI: 10.1021/jm970389+
BindingDB Entry DOI: 10.7270/Q2MC8Z4D
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50133409
PNG
(CHEMBL3632845)
Show SMILES Nc1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C19H18N2O2S/c20-18-9-3-15(4-10-18)13-14-1-5-16(6-2-14)17-7-11-19(12-8-17)24(21,22)23/h1-12H,13,20H2,(H2,21,22,23)
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0.670n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50133389
PNG
(CHEMBL3632825)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H13NO4S/c1-19-14(16)12-4-2-10(3-5-12)11-6-8-13(9-7-11)20(15,17)18/h2-9H,1H3,(H2,15,17,18)
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0.670n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM86139
PNG
(CAS_235433-36-0 | CAS_99566-27-5 | NPSF | NSC_0 | ...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C54H76N14O10/c1-32(2)28-41(66-47(72)36(55)29-33-14-6-3-7-15-33)50(75)67-42(31-35-18-10-5-11-19-35)51(76)64-39(23-25-45(57)70)53(78)68-27-13-21-43(68)52(77)63-38(22-24-44(56)69)49(74)62-37(20-12-26-61-54(59)60)48(73)65-40(46(58)71)30-34-16-8-4-9-17-34/h3-11,14-19,32,36-43H,12-13,20-31,55H2,1-2H3,(H2,56,69)(H2,57,70)(H2,58,71)(H,62,74)(H,63,77)(H,64,76)(H,65,73)(H,66,72)(H,67,75)(H4,59,60,61)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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0.680n/an/an/an/an/an/an/an/a



Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50133393
PNG
(CHEMBL3632829)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C15H16N2O4S/c16-22(20,21)14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(19)17-9-10-18/h1-8,18H,9-10H2,(H,17,19)(H2,16,20,21)
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0.690n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50285986
PNG
(2-[6-(4-Fluoro-phenyl)-3-(3-pyridin-3-yl-1H-pyrrol...)
Show SMILES CN(C)C(=O)Cn1cc(C(=O)c2ccn3C(SCc23)c2cccnc2)c2ccc(cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C30H25FN4O2S/c1-33(2)28(36)17-34-16-25(23-10-7-20(14-26(23)34)19-5-8-22(31)9-6-19)29(37)24-11-13-35-27(24)18-38-30(35)21-4-3-12-32-15-21/h3-16,30H,17-18H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for antagonistic activity to displace [3H]-PAF from rabbit platelet membrane PAF receptors


Bioorg Med Chem Lett 5: 2903-2908 (1995)


Article DOI: 10.1016/0960-894X(95)00509-R
BindingDB Entry DOI: 10.7270/Q2WW7HN1
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50133391
PNG
(CHEMBL3632827)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H11NO4S/c14-19(17,18)12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)(H2,14,17,18)
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0.75n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50133397
PNG
(CHEMBL3632833)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(O)c1ccccc1
Show InChI InChI=1/C19H17NO3S/c20-24(22,23)18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13,19,21H,(H2,20,22,23)
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0.770n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
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