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Compile Data Set for Download or QSAR

Found 22 hits of ic50 for UniProtKB: P97612   
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
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108250
PNG
(3‐(3‐carbamoylphenyl)‐4‐me...)
Show SMILES Cc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H24N2O3/c1-14-10-11-18(26-21(25)23-17-8-3-2-4-9-17)13-19(14)15-6-5-7-16(12-15)20(22)24/h5-7,10-13,17H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25)
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n/an/a 60n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108251
PNG
(2,3‐dichloro‐N‐{1H‐pyrrolo...)
Show SMILES Clc1cccc(C(=O)Nc2cnc3[nH]ccc3c2)c1Cl
Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-1-2-10(12(11)16)14(20)19-9-6-8-4-5-17-13(8)18-7-9/h1-7H,(H,17,18)(H,19,20)
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Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM50437232
PNG
(3‐(3‐carbamoylphenyl)‐4‐me...)
Show SMILES COc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H24N2O4/c1-26-19-11-10-17(27-21(25)23-16-8-3-2-4-9-16)13-18(19)14-6-5-7-15(12-14)20(22)24/h5-7,10-13,16H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25)
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n/an/a 137n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108234
PNG
(2‐(trifluoromethyl)‐7H,8H,9H‐[1,...)
Show SMILES FC(F)(F)c1nc2ncc3C(=O)CCCc3n2n1
Show InChI InChI=1S/C10H7F3N4O/c11-10(12,13)8-15-9-14-4-5-6(17(9)16-8)2-1-3-7(5)18/h4H,1-3H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM50437217
PNG
(2‐(3‐carbamoylphenyl)‐4‐ [...)
Show SMILES NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1C(O)=O
Show InChI InChI=1S/C21H22N2O5/c22-19(24)14-6-4-5-13(11-14)18-12-16(9-10-17(18)20(25)26)28-21(27)23-15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8H2,(H2,22,24)(H,23,27)(H,25,26)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108233
PNG
(1‐[2‐(trifluoromethyl)phenyl]piperazin...)
Show SMILES FC(F)(F)c1ccccc1N1CCNCC1
Show InChI InChI=1S/C11H13F3N2/c12-11(13,14)9-3-1-2-4-10(9)16-7-5-15-6-8-16/h1-4,15H,5-8H2
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n/an/a 4.20E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108235
PNG
(1‐(4‐chlorophenyl)‐2,2,2‐t...)
Show SMILES FC(F)(F)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C8H4ClF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
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n/an/a 2.60E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108238
PNG
(5‐phenyl‐3‐(trifluoromethyl)R...)
Show SMILES OC1(CC(N=N1)c1ccccc1)C(F)(F)F |c:4|
Show InChI InChI=1S/C10H9F3N2O/c11-10(12,13)9(16)6-8(14-15-9)7-4-2-1-3-5-7/h1-5,8,16H,6H2
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n/an/a 3.20E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108236
PNG
(2‐fluoro‐4‐methanesulfonylanilin...)
Show SMILES CS(=O)(=O)c1ccc(N)c(F)c1
Show InChI InChI=1S/C7H8FNO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
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n/an/a 5.80E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108247
PNG
(5‐phenyl‐7‐(trifluoromethyl)R...)
Show SMILES FC(F)(F)c1cc(nc2ncnn12)-c1ccccc1
Show InChI InChI=1S/C12H7F3N4/c13-12(14,15)10-6-9(8-4-2-1-3-5-8)18-11-16-7-17-19(10)11/h1-7H
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n/an/a 1.10E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108242
PNG
(4‐oxo‐6‐(trifluoromethyl)pyran&#...)
Show SMILES OC(=O)c1cc(=O)cc(o1)C(F)(F)F
Show InChI InChI=1S/C7H3F3O4/c8-7(9,10)5-2-3(11)1-4(14-5)6(12)13/h1-2H,(H,12,13)
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n/an/a 1.37E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108243
PNG
(1‐(4‐chlorophenyl)‐2,2,2‐t...)
Show SMILES OC(c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C8H6ClF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7,13H
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n/an/a 1.43E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108239
PNG
([3‐(trifluoromethyl)pyrazol‐1‐yl...)
Show SMILES OC(=O)Cn1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C6H5F3N2O2/c7-6(8,9)4-1-2-11(10-4)3-5(12)13/h1-2H,3H2,(H,12,13)
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n/an/a 1.47E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM85507
PNG
(CAS_4394-00-7 | NSC_4488 | Niflumic acid | Niflumi...)
Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
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n/an/a 1.62E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108240
PNG
([3‐(trifluoromethyl)phenyl]methanamine (Hit ...)
Show SMILES NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
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n/an/a 2.70E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108246
PNG
(1‐(1,2,3‐benzotriazol‐2‐yl...)
Show SMILES FC(F)(F)C(=O)n1nc2ccccc2n1
Show InChI InChI=1S/C8H4F3N3O/c9-8(10,11)7(15)14-12-5-3-1-2-4-6(5)13-14/h1-4H
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n/an/a 4.00E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108237
PNG
(M‐trifluoromethylphenol (Hit 5))
Show SMILES Oc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
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n/an/a 4.50E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108241
PNG
(1‐(trifluoromethyl)cyclobutane‐1‐...)
Show SMILES OC(=O)C1(CCC1)C(F)(F)F
Show InChI InChI=1S/C6H7F3O2/c7-6(8,9)5(4(10)11)2-1-3-5/h1-3H2,(H,10,11)
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n/an/a 4.65E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108244
PNG
((1S)‐2,2,2‐trifluoro‐1‐phe...)
Show SMILES O[C@@H](c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H/t7-/m0/s1
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n/an/a 5.63E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108245
PNG
(2‐[3‐(trifluoromethyl)phenyl]acetonitr...)
Show SMILES FC(F)(F)c1cccc(CC#N)c1
Show InChI InChI=1S/C9H6F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
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n/an/a 7.20E+5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108248
PNG
((3R,4S,5R)‐2‐(6‐amino‐2...)
Show SMILES Nc1nc(F)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9?/m1/s1
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n/an/a 1.13E+6n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [33-574]


(Rattus norvegicus (Rat))		BDBM108249
PNG
(3‐amino‐N‐[5‐hydroxy‐...)
Show SMILES Nc1cccc(c1)C(=O)Nc1cc(=O)n(CC(F)(F)F)[nH]1
Show InChI InChI=1S/C12H11F3N4O2/c13-12(14,15)6-19-10(20)5-9(18-19)17-11(21)7-2-1-3-8(16)4-7/h1-5,18H,6,16H2,(H,17,21)
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n/an/a 1.32E+6n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).





Chembiochem 14: 1611-9 (2013)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q2DB80G3
More data for this
Ligand-Target Pair