BindingDB logo
myBDB logout

181 molecules are shown

Wt: 374.3
BDBM23421		Wt: 354.3
BDBM31699Purchase		Wt: 356.8
BDBM31710Purchase		Wt: 376.4
BDBM33588Purchase		Wt: 406.4
BDBM33622Purchase
Wt: 527.5
BDBM32017Purchase		Wt: 395.7
BDBM32078Purchase		Wt: 360.4
BDBM34498Purchase		Wt: 433.5
BDBM34503Purchase		Wt: 359.4
BDBM34364Purchase
Wt: 459.6
BDBM35408Purchase		Wt: 474.5
BDBM35414Purchase		Wt: 230.3
BDBM37796Purchase		Wt: 351.2
BDBM37797Purchase		Wt: 383.4
BDBM37688
Displayed 1 to 15 (of 181 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 113 hits for monomerid = 23421,31699,31710,33588,33622,32017,32078,34498,34503,34364,35408,35414,37796,37797,37688   
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
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM34503
PNG
(3-cyclohexyl-6-keto-8-(2-methoxy-1-naphthyl)-2,4,7...)
Show SMILES COc1ccc2ccccc2c1C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1 |c:24|
Show InChI InChI=1S/C25H27N3O2S/c1-30-22-12-11-17-7-5-6-10-19(17)24(22)20-13-23(29)28-15-27(18-8-3-2-4-9-18)16-31-25(28)21(20)14-26/h5-7,10-12,18,20H,2-4,8-9,13,15-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
 1.29E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))		BDBM32017
PNG
((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
Show InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars
PCBioAssay
 1.52E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM34364
PNG
(MLS000094740 | N-cyclohexyl-5-keto-1-thioxo-4H-thi...)
Show SMILES O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C17H17N3O2S2/c21-15-11-8-4-5-9-12(11)20-14(19-15)13(24-17(20)23)16(22)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,18,22)(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
 2.66E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM35414
PNG
(5-oxidanylidene-N3-(oxolan-2-ylmethyl)-N8-pentyl-1...)
Show SMILES CCCCCNC(=O)c1ccc2c(c1)n1c([nH]c2=O)c(sc1=S)C(=O)NCC1CCCO1
Show InChI InChI=1S/C22H26N4O4S2/c1-2-3-4-9-23-19(27)13-7-8-15-16(11-13)26-18(25-20(15)28)17(32-22(26)31)21(29)24-12-14-6-5-10-30-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,23,27)(H,24,29)(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
 2.66E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM37796
PNG
((4-cyclopropylthiazol-2-yl)-(p-tolyl)amine | 4-cyc...)
Show SMILES Cc1ccc(Nc2nc(cs2)C2CC2)cc1
Show InChI InChI=1S/C13H14N2S/c1-9-2-6-11(7-3-9)14-13-15-12(8-16-13)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
 2.82E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM37688
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H...)
Show SMILES CC(C)OC(=O)c1nnn(c1CN1CCc2ccccc2C1)-c1nonc1N
Show InChI InChI=1S/C18H21N7O3/c1-11(2)27-18(26)15-14(25(23-20-15)17-16(19)21-28-22-17)10-24-8-7-12-5-3-4-6-13(12)9-24/h3-6,11H,7-10H2,1-2H3,(H2,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
 3.27E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))		BDBM35414
PNG
(5-oxidanylidene-N3-(oxolan-2-ylmethyl)-N8-pentyl-1...)
Show SMILES CCCCCNC(=O)c1ccc2c(c1)n1c([nH]c2=O)c(sc1=S)C(=O)NCC1CCCO1
Show InChI InChI=1S/C22H26N4O4S2/c1-2-3-4-9-23-19(27)13-7-8-15-16(11-13)26-18(25-20(15)28)17(32-22(26)31)21(29)24-12-14-6-5-10-30-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,23,27)(H,24,29)(H,25,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))		BDBM35408
PNG
(1-ethyl-4-keto-N-(4-methylcyclohexyl)-6-piperidino...)
Show SMILES CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1 |(11.08,4.26,;12.42,3.49,;12.42,1.95,;11.08,1.18,;11.08,-.36,;9.75,-1.13,;9.75,-2.67,;8.41,-.36,;7.08,-1.13,;7.08,-2.67,;5.75,-3.44,;4.41,-2.67,;3.08,-3.44,;4.41,-1.13,;5.75,-.36,;12.42,-1.13,;12.42,-2.67,;13.75,-.36,;15.13,-1.18,;16.52,-.39,;16.52,1.21,;15.13,2,;13.75,1.18,;17.85,-1.17,;18.63,.16,;17.08,-2.5,;19.18,-1.94,;19.18,-3.48,;20.51,-4.26,;21.84,-3.49,;21.85,-1.95,;20.52,-1.18,)|
Show InChI InChI=1S/C24H33N3O4S/c1-3-26-16-21(24(29)25-18-9-7-17(2)8-10-18)23(28)20-15-19(11-12-22(20)26)32(30,31)27-13-5-4-6-14-27/h11-12,15-18H,3-10,13-14H2,1-2H3,(H,25,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))		BDBM33622
PNG
(2-[(5Z)-4-keto-5-(2-keto-1-methyl-indolin-3-yliden...)
Show SMILES CN1C(=O)\C(=C2/SC(=S)N(C(CCC(O)=O)C(O)=O)C2=O)c2ccccc12
Show InChI InChI=1S/C17H14N2O6S2/c1-18-9-5-3-2-4-8(9)12(14(18)22)13-15(23)19(17(26)27-13)10(16(24)25)6-7-11(20)21/h2-5,10H,6-7H2,1H3,(H,20,21)(H,24,25)/b13-12-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))		BDBM32078
PNG
(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Show SMILES FC(F)(F)C1(NC(=O)NCCN2CCOCC2)Oc2ccc(Cl)cc2O1
Show InChI InChI=1S/C15H17ClF3N3O4/c16-10-1-2-11-12(9-10)26-15(25-11,14(17,18)19)21-13(23)20-3-4-22-5-7-24-8-6-22/h1-2,9H,3-8H2,(H2,20,21,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))		BDBM31699
PNG
((4-methoxy-1,3-benzothiazol-2-yl)-[5-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1
Show InChI InChI=1S/C17H14N4O3S/c1-22-11-8-6-10(7-9-11)15-20-21-16(24-15)19-17-18-14-12(23-2)4-3-5-13(14)25-17/h3-9H,1-2H3,(H,18,19,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))		BDBM37688
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H...)
Show SMILES CC(C)OC(=O)c1nnn(c1CN1CCc2ccccc2C1)-c1nonc1N
Show InChI InChI=1S/C18H21N7O3/c1-11(2)27-18(26)15-14(25(23-20-15)17-16(19)21-28-22-17)10-24-8-7-12-5-3-4-6-13(12)9-24/h3-6,11H,7-10H2,1-2H3,(H2,19,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))		BDBM33588
PNG
(MLS000051414 | N-(3-acetylphenyl)-2-[(4-methoxyphe...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Nc1cccc(c1)C(C)=O
Show InChI InChI=1S/C18H20N2O5S/c1-12(18(22)19-15-6-4-5-14(11-15)13(2)21)20-26(23,24)17-9-7-16(25-3)8-10-17/h4-12,20H,1-3H3,(H,19,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))		BDBM23421
PNG
(1-benzyl-3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl...)
Show SMILES Cc1ccc(o1)C(=O)C1C(N(Cc2ccccc2)C(=O)C1=O)c1cccnc1
Show InChI InChI=1S/C22H18N2O4/c1-14-9-10-17(28-14)20(25)18-19(16-8-5-11-23-12-16)24(22(27)21(18)26)13-15-6-3-2-4-7-15/h2-12,18-19H,13H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))		BDBM34498
PNG
(2-[(5-cyclopropylisoxazole-3-carbonyl)amino]-4,5,6...)
Show SMILES CCOC(=O)c1c(NC(=O)c2cc(on2)C2CC2)sc2CCCCc12
Show InChI InChI=1S/C18H20N2O4S/c1-2-23-18(22)15-11-5-3-4-6-14(11)25-17(15)19-16(21)12-9-13(24-20-12)10-7-8-10/h9-10H,2-8H2,1H3,(H,19,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))		BDBM34503
PNG
(3-cyclohexyl-6-keto-8-(2-methoxy-1-naphthyl)-2,4,7...)
Show SMILES COc1ccc2ccccc2c1C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1 |c:24|
Show InChI InChI=1S/C25H27N3O2S/c1-30-22-12-11-17-7-5-6-10-19(17)24(22)20-13-23(29)28-15-27(18-8-3-2-4-9-18)16-31-25(28)21(20)14-26/h5-7,10-12,18,20H,2-4,8-9,13,15-16H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))		BDBM34364
PNG
(MLS000094740 | N-cyclohexyl-5-keto-1-thioxo-4H-thi...)
Show SMILES O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C17H17N3O2S2/c21-15-11-8-4-5-9-12(11)20-14(19-15)13(24-17(20)23)16(22)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,18,22)(H,19,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))		BDBM37797
PNG
(5-(3,4-dichlorophenyl)-7-(2-thienyl)-1,5,6,7-tetra...)
Show SMILES Clc1ccc(cc1Cl)C1CC(c2cccs2)n2ncnc2N1
Show InChI InChI=1S/C15H12Cl2N4S/c16-10-4-3-9(6-11(10)17)12-7-13(14-2-1-5-22-14)21-15(20-12)18-8-19-21/h1-6,8,12-13H,7H2,(H,18,19,20)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))		BDBM37796
PNG
((4-cyclopropylthiazol-2-yl)-(p-tolyl)amine | 4-cyc...)
Show SMILES Cc1ccc(Nc2nc(cs2)C2CC2)cc1
Show InChI InChI=1S/C13H14N2S/c1-9-2-6-11(7-3-9)14-13-15-12(8-16-13)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,14,15)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM33622
PNG
(2-[(5Z)-4-keto-5-(2-keto-1-methyl-indolin-3-yliden...)
Show SMILES CN1C(=O)\C(=C2/SC(=S)N(C(CCC(O)=O)C(O)=O)C2=O)c2ccccc12
Show InChI InChI=1S/C17H14N2O6S2/c1-18-9-5-3-2-4-8(9)12(14(18)22)13-15(23)19(17(26)27-13)10(16(24)25)6-7-11(20)21/h2-5,10H,6-7H2,1H3,(H,20,21)(H,24,25)/b13-12-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.37E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM37797
PNG
(5-(3,4-dichlorophenyl)-7-(2-thienyl)-1,5,6,7-tetra...)
Show SMILES Clc1ccc(cc1Cl)C1CC(c2cccs2)n2ncnc2N1
Show InChI InChI=1S/C15H12Cl2N4S/c16-10-4-3-9(6-11(10)17)12-7-13(14-2-1-5-22-14)21-15(20-12)18-8-19-21/h1-6,8,12-13H,7H2,(H,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.37E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM34498
PNG
(2-[(5-cyclopropylisoxazole-3-carbonyl)amino]-4,5,6...)
Show SMILES CCOC(=O)c1c(NC(=O)c2cc(on2)C2CC2)sc2CCCCc12
Show InChI InChI=1S/C18H20N2O4S/c1-2-23-18(22)15-11-5-3-4-6-14(11)25-17(15)19-16(21)12-9-13(24-20-12)10-7-8-10/h9-10H,2-8H2,1H3,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.37E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM23421
PNG
(1-benzyl-3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl...)
Show SMILES Cc1ccc(o1)C(=O)C1C(N(Cc2ccccc2)C(=O)C1=O)c1cccnc1
Show InChI InChI=1S/C22H18N2O4/c1-14-9-10-17(28-14)20(25)18-19(16-8-5-11-23-12-16)24(22(27)21(18)26)13-15-6-3-2-4-7-15/h2-12,18-19H,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.37E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM33588
PNG
(MLS000051414 | N-(3-acetylphenyl)-2-[(4-methoxyphe...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Nc1cccc(c1)C(C)=O
Show InChI InChI=1S/C18H20N2O5S/c1-12(18(22)19-15-6-4-5-14(11-15)13(2)21)20-26(23,24)17-9-7-16(25-3)8-10-17/h4-12,20H,1-3H3,(H,19,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
>4.37E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM35408
PNG
(1-ethyl-4-keto-N-(4-methylcyclohexyl)-6-piperidino...)
Show SMILES CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1 |(11.08,4.26,;12.42,3.49,;12.42,1.95,;11.08,1.18,;11.08,-.36,;9.75,-1.13,;9.75,-2.67,;8.41,-.36,;7.08,-1.13,;7.08,-2.67,;5.75,-3.44,;4.41,-2.67,;3.08,-3.44,;4.41,-1.13,;5.75,-.36,;12.42,-1.13,;12.42,-2.67,;13.75,-.36,;15.13,-1.18,;16.52,-.39,;16.52,1.21,;15.13,2,;13.75,1.18,;17.85,-1.17,;18.63,.16,;17.08,-2.5,;19.18,-1.94,;19.18,-3.48,;20.51,-4.26,;21.84,-3.49,;21.85,-1.95,;20.52,-1.18,)|
Show InChI InChI=1S/C24H33N3O4S/c1-3-26-16-21(24(29)25-18-9-7-17(2)8-10-18)23(28)20-15-19(11-12-22(20)26)32(30,31)27-13-5-4-6-14-27/h11-12,15-18H,3-10,13-14H2,1-2H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.37E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM31699
PNG
((4-methoxy-1,3-benzothiazol-2-yl)-[5-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1
Show InChI InChI=1S/C17H14N4O3S/c1-22-11-8-6-10(7-9-11)15-20-21-16(24-15)19-17-18-14-12(23-2)4-3-5-13(14)25-17/h3-9H,1-2H3,(H,18,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.37E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM32017
PNG
((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
Show InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars
PCBioAssay
>4.37E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM32078
PNG
(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Show SMILES FC(F)(F)C1(NC(=O)NCCN2CCOCC2)Oc2ccc(Cl)cc2O1
Show InChI InChI=1S/C15H17ClF3N3O4/c16-10-1-2-11-12(9-10)26-15(25-11,14(17,18)19)21-13(23)20-3-4-22-5-7-24-8-6-22/h1-2,9H,3-8H2,(H2,20,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
>4.37E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L3


(Homo sapiens (Human))		BDBM23421
PNG
(1-benzyl-3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl...)
Show SMILES Cc1ccc(o1)C(=O)C1C(N(Cc2ccccc2)C(=O)C1=O)c1cccnc1
Show InChI InChI=1S/C22H18N2O4/c1-14-9-10-17(28-14)20(25)18-19(16-8-5-11-23-12-16)24(22(27)21(18)26)13-15-6-3-2-4-7-15/h2-12,18-19H,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.03E+5n/an/an/an/a7.822



Waseda University



Assay Description
Enzyme reactions were carried out on Costar 96-well black assay plates. After the reaction, AMC fluorescence (excitation wavelength: 355 nm, emission...

Bioorg Med Chem 15: 6810-8 (2007)


Article DOI: 10.1016/j.bmc.2007.07.016
BindingDB Entry DOI: 10.7270/Q2ZK5DZK
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM32017
PNG
((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
Show InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars
PCBioAssay
n/an/a 174n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM32078
PNG
(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Show SMILES FC(F)(F)C1(NC(=O)NCCN2CCOCC2)Oc2ccc(Cl)cc2O1
Show InChI InChI=1S/C15H17ClF3N3O4/c16-10-1-2-11-12(9-10)26-15(25-11,14(17,18)19)21-13(23)20-3-4-22-5-7-24-8-6-22/h1-2,9H,3-8H2,(H2,20,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock 70 kDa protein 1A


(Homo sapiens (Human))		BDBM31699
PNG
((4-methoxy-1,3-benzothiazol-2-yl)-[5-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1
Show InChI InChI=1S/C17H14N4O3S/c1-22-11-8-6-10(7-9-11)15-20-21-16(24-15)19-17-18-14-12(23-2)4-3-5-13(14)25-17/h3-9H,1-2H3,(H,18,19,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 1.00E+5n/an/an/an/a7.023



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S180TW
More data for this
Ligand-Target Pair
Heat shock 70 kDa protein 1A


(Homo sapiens (Human))		BDBM31710
PNG
(1-(4-chlorophenyl)-3-(1,5-dimethyl-3-oxidanylidene...)
Show SMILES Cc1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C18H17ClN4O2/c1-12-16(21-18(25)20-14-10-8-13(19)9-11-14)17(24)23(22(12)2)15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,20,21,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PCBioAssay
n/an/a 1.00E+5n/an/an/an/a7.023



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S180TW
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))		BDBM35408
PNG
(1-ethyl-4-keto-N-(4-methylcyclohexyl)-6-piperidino...)
Show SMILES CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1 |(11.08,4.26,;12.42,3.49,;12.42,1.95,;11.08,1.18,;11.08,-.36,;9.75,-1.13,;9.75,-2.67,;8.41,-.36,;7.08,-1.13,;7.08,-2.67,;5.75,-3.44,;4.41,-2.67,;3.08,-3.44,;4.41,-1.13,;5.75,-.36,;12.42,-1.13,;12.42,-2.67,;13.75,-.36,;15.13,-1.18,;16.52,-.39,;16.52,1.21,;15.13,2,;13.75,1.18,;17.85,-1.17,;18.63,.16,;17.08,-2.5,;19.18,-1.94,;19.18,-3.48,;20.51,-4.26,;21.84,-3.49,;21.85,-1.95,;20.52,-1.18,)|
Show InChI InChI=1S/C24H33N3O4S/c1-3-26-16-21(24(29)25-18-9-7-17(2)8-10-18)23(28)20-15-19(11-12-22(20)26)32(30,31)27-13-5-4-6-14-27/h11-12,15-18H,3-10,13-14H2,1-2H3,(H,25,29)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 4.86E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))		BDBM35414
PNG
(5-oxidanylidene-N3-(oxolan-2-ylmethyl)-N8-pentyl-1...)
Show SMILES CCCCCNC(=O)c1ccc2c(c1)n1c([nH]c2=O)c(sc1=S)C(=O)NCC1CCCO1
Show InChI InChI=1S/C22H26N4O4S2/c1-2-3-4-9-23-19(27)13-7-8-15-16(11-13)26-18(25-20(15)28)17(32-22(26)31)21(29)24-12-14-6-5-10-30-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,23,27)(H,24,29)(H,25,28)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 3.84E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM34364
PNG
(MLS000094740 | N-cyclohexyl-5-keto-1-thioxo-4H-thi...)
Show SMILES O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C17H17N3O2S2/c21-15-11-8-4-5-9-12(11)20-14(19-15)13(24-17(20)23)16(22)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,18,22)(H,19,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 645n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM34498
PNG
(2-[(5-cyclopropylisoxazole-3-carbonyl)amino]-4,5,6...)
Show SMILES CCOC(=O)c1c(NC(=O)c2cc(on2)C2CC2)sc2CCCCc12
Show InChI InChI=1S/C18H20N2O4S/c1-2-23-18(22)15-11-5-3-4-6-14(11)25-17(15)19-16(21)12-9-13(24-20-12)10-7-8-10/h9-10H,2-8H2,1H3,(H,19,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 1.70E+3n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM34503
PNG
(3-cyclohexyl-6-keto-8-(2-methoxy-1-naphthyl)-2,4,7...)
Show SMILES COc1ccc2ccccc2c1C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1 |c:24|
Show InChI InChI=1S/C25H27N3O2S/c1-30-22-12-11-17-7-5-6-10-19(17)24(22)20-13-23(29)28-15-27(18-8-3-2-4-9-18)16-31-25(28)21(20)14-26/h5-7,10-12,18,20H,2-4,8-9,13,15-16H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 3.62E+3n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))		BDBM32078
PNG
(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Show SMILES FC(F)(F)C1(NC(=O)NCCN2CCOCC2)Oc2ccc(Cl)cc2O1
Show InChI InChI=1S/C15H17ClF3N3O4/c16-10-1-2-11-12(9-10)26-15(25-11,14(17,18)19)21-13(23)20-3-4-22-5-7-24-8-6-22/h1-2,9H,3-8H2,(H2,20,21,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM33588
PNG
(MLS000051414 | N-(3-acetylphenyl)-2-[(4-methoxyphe...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Nc1cccc(c1)C(C)=O
Show InChI InChI=1S/C18H20N2O5S/c1-12(18(22)19-15-6-4-5-14(11-15)13(2)21)20-26(23,24)17-9-7-16(25-3)8-10-17/h4-12,20H,1-3H3,(H,19,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.523



PCMD

Curated by PubChem BioAssay


Assay Description
HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K64GDN
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM33622
PNG
(2-[(5Z)-4-keto-5-(2-keto-1-methyl-indolin-3-yliden...)
Show SMILES CN1C(=O)\C(=C2/SC(=S)N(C(CCC(O)=O)C(O)=O)C2=O)c2ccccc12
Show InChI InChI=1S/C17H14N2O6S2/c1-18-9-5-3-2-4-8(9)12(14(18)22)13-15(23)19(17(26)27-13)10(16(24)25)6-7-11(20)21/h2-5,10H,6-7H2,1H3,(H,20,21)(H,24,25)/b13-12-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.523



PCMD

Curated by PubChem BioAssay


Assay Description
HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K64GDN
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM32017
PNG
((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
Show InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars
PCBioAssay
n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J67FB5
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))		BDBM35414
PNG
(5-oxidanylidene-N3-(oxolan-2-ylmethyl)-N8-pentyl-1...)
Show SMILES CCCCCNC(=O)c1ccc2c(c1)n1c([nH]c2=O)c(sc1=S)C(=O)NCC1CCCO1
Show InChI InChI=1S/C22H26N4O4S2/c1-2-3-4-9-23-19(27)13-7-8-15-16(11-13)26-18(25-20(15)28)17(32-22(26)31)21(29)24-12-14-6-5-10-30-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,23,27)(H,24,29)(H,25,28)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 3.67E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...

PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q20863PV
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM32078
PNG
(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Show SMILES FC(F)(F)C1(NC(=O)NCCN2CCOCC2)Oc2ccc(Cl)cc2O1
Show InChI InChI=1S/C15H17ClF3N3O4/c16-10-1-2-11-12(9-10)26-15(25-11,14(17,18)19)21-13(23)20-3-4-22-5-7-24-8-6-22/h1-2,9H,3-8H2,(H2,20,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J67FB5
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM31699
PNG
((4-methoxy-1,3-benzothiazol-2-yl)-[5-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1
Show InChI InChI=1S/C17H14N4O3S/c1-22-11-8-6-10(7-9-11)15-20-21-16(24-15)19-17-18-14-12(23-2)4-3-5-13(14)25-17/h3-9H,1-2H3,(H,18,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J67FB5
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM37688
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H...)
Show SMILES CC(C)OC(=O)c1nnn(c1CN1CCc2ccccc2C1)-c1nonc1N
Show InChI InChI=1S/C18H21N7O3/c1-11(2)27-18(26)15-14(25(23-20-15)17-16(19)21-28-22-17)10-24-8-7-12-5-3-4-6-13(12)9-24/h3-6,11H,7-10H2,1-2H3,(H2,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J67FB5
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM34364
PNG
(MLS000094740 | N-cyclohexyl-5-keto-1-thioxo-4H-thi...)
Show SMILES O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C17H17N3O2S2/c21-15-11-8-4-5-9-12(11)20-14(19-15)13(24-17(20)23)16(22)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,18,22)(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 4.06E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J67FB5
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM35408
PNG
(1-ethyl-4-keto-N-(4-methylcyclohexyl)-6-piperidino...)
Show SMILES CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1 |(11.08,4.26,;12.42,3.49,;12.42,1.95,;11.08,1.18,;11.08,-.36,;9.75,-1.13,;9.75,-2.67,;8.41,-.36,;7.08,-1.13,;7.08,-2.67,;5.75,-3.44,;4.41,-2.67,;3.08,-3.44,;4.41,-1.13,;5.75,-.36,;12.42,-1.13,;12.42,-2.67,;13.75,-.36,;15.13,-1.18,;16.52,-.39,;16.52,1.21,;15.13,2,;13.75,1.18,;17.85,-1.17,;18.63,.16,;17.08,-2.5,;19.18,-1.94,;19.18,-3.48,;20.51,-4.26,;21.84,-3.49,;21.85,-1.95,;20.52,-1.18,)|
Show InChI InChI=1S/C24H33N3O4S/c1-3-26-16-21(24(29)25-18-9-7-17(2)8-10-18)23(28)20-15-19(11-12-22(20)26)32(30,31)27-13-5-4-6-14-27/h11-12,15-18H,3-10,13-14H2,1-2H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J67FB5
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM35414
PNG
(5-oxidanylidene-N3-(oxolan-2-ylmethyl)-N8-pentyl-1...)
Show SMILES CCCCCNC(=O)c1ccc2c(c1)n1c([nH]c2=O)c(sc1=S)C(=O)NCC1CCCO1
Show InChI InChI=1S/C22H26N4O4S2/c1-2-3-4-9-23-19(27)13-7-8-15-16(11-13)26-18(25-20(15)28)17(32-22(26)31)21(29)24-12-14-6-5-10-30-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,23,27)(H,24,29)(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 4.07E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J67FB5
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))		BDBM33588
PNG
(MLS000051414 | N-(3-acetylphenyl)-2-[(4-methoxyphe...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Nc1cccc(c1)C(C)=O
Show InChI InChI=1S/C18H20N2O5S/c1-12(18(22)19-15-6-4-5-14(11-15)13(2)21)20-26(23,24)17-9-7-16(25-3)8-10-17/h4-12,20H,1-3H3,(H,19,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J67FB5
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 113 total )  |  Next  |  Last  >>