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Compile Data Set for Download or QSAR

Found 274 hits with Last Name = 'blevitt' and Initial = 'j'   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22911
PNG
(2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...)
Show SMILES NC(=N)SCCc1cnc[nH]1
Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
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0.300n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22542
PNG
(4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...)
Show SMILES C(C1CCNCC1)c1cnc[nH]1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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0.400n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22530
PNG
(N(alpha)-Methylhistamine | N-alpha-methylhistamine...)
Show SMILES CNCCc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
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0.5n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.600n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22911
PNG
(2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...)
Show SMILES NC(=N)SCCc1cnc[nH]1
Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
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2.70n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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5.40n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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8.10n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22542
PNG
(4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...)
Show SMILES C(C1CCNCC1)c1cnc[nH]1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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9n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22884
PNG
(2-[3-(1H-imidazol-5-yl)propyl]-1-(2-{[(5-methyl-1H...)
Show SMILES Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10|
Show InChI InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)
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12.3n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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12.8n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22530
PNG
(N(alpha)-Methylhistamine | N-alpha-methylhistamine...)
Show SMILES CNCCc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
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23n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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25n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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27n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22884
PNG
(2-[3-(1H-imidazol-5-yl)propyl]-1-(2-{[(5-methyl-1H...)
Show SMILES Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10|
Show InChI InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)
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67n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22888
PNG
(1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...)
Show SMILES CNC(=S)NCCCCc1cnc[nH]1
Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
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84n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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146n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22888
PNG
(1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...)
Show SMILES CNC(=S)NCCCCc1cnc[nH]1
Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
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180n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22883
PNG
(CHEMBL12344 | Dimaprit | [3-(carbamimidoylsulfanyl...)
Show SMILES CN(C)CCCSC(N)=N
Show InChI InChI=1S/C6H15N3S/c1-9(2)4-3-5-10-6(7)8/h3-5H2,1-2H3,(H3,7,8)
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377n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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510n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22883
PNG
(CHEMBL12344 | Dimaprit | [3-(carbamimidoylsulfanyl...)
Show SMILES CN(C)CCCSC(N)=N
Show InChI InChI=1S/C6H15N3S/c1-9(2)4-3-5-10-6(7)8/h3-5H2,1-2H3,(H3,7,8)
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825n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22893
PNG
(CHEMBL512 | Ranitidine | ZANTAC | dimethyl[(5-{[(2...)
Show SMILES CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
Show InChI InChI=1S/C13H21N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9H,6-8,10H2,1-3H3,(H,14,15)/q-1/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22889
PNG
((Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidaz...)
Show SMILES CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6|
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133003
PNG
(4-(3-(piperidin-1-yl)propoxy)benzonitrile | 4-(3-P...)
Show SMILES N#Cc1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C15H20N2O/c16-13-14-5-7-15(8-6-14)18-12-4-11-17-9-2-1-3-10-17/h5-8H,1-4,9-12H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22893
PNG
(CHEMBL512 | Ranitidine | ZANTAC | dimethyl[(5-{[(2...)
Show SMILES CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
Show InChI InChI=1S/C13H21N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9H,6-8,10H2,1-3H3,(H,14,15)/q-1/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22889
PNG
((Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidaz...)
Show SMILES CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6|
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50402386
PNG
(CHEMBL2207747)
Show SMILES CC(=O)NC1CC2CCC(C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1 |TLB:3:4:11:7.8,THB:12:11:4.5.10:7.8|
Show InChI InChI=1S/C23H26N4O2S/c1-15(28)25-17-13-18-6-7-19(14-17)27(18)12-10-16-4-8-20(9-5-16)29-23-26-22-21(30-23)3-2-11-24-22/h2-5,8-9,11,17-19H,6-7,10,12-14H2,1H3,(H,25,28)
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n/an/a 0.300n/an/an/an/an/an/a



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LTA4 hydrolase expressed in SF9 cells using LTA4 as substrate assessed as LTB4 production incubated for 10 mins prior...


Bioorg Med Chem Lett 22: 7504-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.036
BindingDB Entry DOI: 10.7270/Q2ZG6TDQ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377765
PNG
(CHEMBL254966)
Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C2CC2)c1
Show InChI InChI=1S/C31H26ClN7O2/c32-22-11-7-18(8-12-22)15-26(40)35-23-5-1-3-20(16-23)27-28(39-30(38-27)19-9-10-19)25-13-14-34-31(37-25)36-24-6-2-4-21(17-24)29(33)41/h1-8,11-14,16-17,19H,9-10,15H2,(H2,33,41)(H,35,40)(H,38,39)(H,34,36,37)
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n/an/a 0.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50402382
PNG
(CHEMBL2207751)
Show SMILES CC(=O)NC1CC2CCC(C1)N2Cc1ccc(Oc2nc3ncccc3s2)cc1 |TLB:3:4:11:7.8|
Show InChI InChI=1S/C22H24N4O2S/c1-14(27)24-16-11-17-6-7-18(12-16)26(17)13-15-4-8-19(9-5-15)28-22-25-21-20(29-22)3-2-10-23-21/h2-5,8-10,16-18H,6-7,11-13H2,1H3,(H,24,27)
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n/an/a 1n/an/an/an/an/an/a



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LTA4 hydrolase expressed in SF9 cells using LTA4 as substrate assessed as LTB4 production incubated for 10 mins prior...


Bioorg Med Chem Lett 22: 7504-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.036
BindingDB Entry DOI: 10.7270/Q2ZG6TDQ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377767
PNG
(CHEMBL429498)
Show SMILES Clc1ccc(CC(=O)Nc2cccc(c2)-c2[nH]c(nc2-c2ccnc(NCCN3CCNC3=O)n2)C2CC2)cc1
Show InChI InChI=1S/C29H29ClN8O2/c30-21-8-4-18(5-9-21)16-24(39)34-22-3-1-2-20(17-22)25-26(37-27(36-25)19-6-7-19)23-10-11-31-28(35-23)32-12-14-38-15-13-33-29(38)40/h1-5,8-11,17,19H,6-7,12-16H2,(H,33,40)(H,34,39)(H,36,37)(H,31,32,35)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377766
PNG
(CHEMBL403854)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C1CC1
Show InChI InChI=1S/C25H23ClN6O/c1-27-25-28-12-11-20(30-25)23-22(31-24(32-23)16-7-8-16)17-3-2-4-19(14-17)29-21(33)13-15-5-9-18(26)10-6-15/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,29,33)(H,31,32)(H,27,28,30)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50425166
PNG
(CHEMBL2313573)
Show SMILES CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12 |r,THB:12:11:10.4.5:7.8|
Show InChI InChI=1S/C24H24N4O3S/c1-14(29)26-16-9-17-4-5-18(10-16)28(17)12-15-13-30-21-11-19(6-7-20(15)21)31-24-27-23-22(32-24)3-2-8-25-23/h2-3,6-8,11,13,16-18H,4-5,9-10,12H2,1H3,(H,26,29)/t16-,17+,18-
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n/an/a 1.60n/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LTA4H expressed in Sf9 cells using LTA4 as substrate incubated for 10 mins prior to substrate addition measured after...


Bioorg Med Chem Lett 23: 811-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.074
BindingDB Entry DOI: 10.7270/Q27H1KW1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163251
PNG
(2-(4-(4-hydroxyphenylthio)phenyl)-1H-benzo[d]imida...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Sc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H15N3O2S/c21-19(25)13-3-10-17-18(11-13)23-20(22-17)12-1-6-15(7-2-12)26-16-8-4-14(24)5-9-16/h1-11,24H,(H2,21,25)(H,22,23)
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377763
PNG
(CHEMBL258454)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N6O/c1-28-22-29-10-9-17(31-22)20-19(32-21(33-20)23(25,26)27)14-3-2-4-16(12-14)30-18(34)11-13-5-7-15(24)8-6-13/h2-10,12H,11H2,1H3,(H,30,34)(H,32,33)(H,28,29,31)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163251
PNG
(2-(4-(4-hydroxyphenylthio)phenyl)-1H-benzo[d]imida...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Sc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H15N3O2S/c21-19(25)13-3-10-17-18(11-13)23-20(22-17)12-1-6-15(7-2-12)26-16-8-4-14(24)5-9-16/h1-11,24H,(H2,21,25)(H,22,23)
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n/an/a 2.30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50425168
PNG
(CHEMBL2313571)
Show SMILES O=C1CCCN1C1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1
Show InChI InChI=1S/C24H24N4O3S/c29-22-4-2-10-28(22)17-7-11-27(12-8-17)14-16-15-30-20-13-18(5-6-19(16)20)31-24-26-23-21(32-24)3-1-9-25-23/h1,3,5-6,9,13,15,17H,2,4,7-8,10-12,14H2
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Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LTA4H expressed in Sf9 cells using LTA4 as substrate incubated for 10 mins prior to substrate addition measured after...


Bioorg Med Chem Lett 23: 811-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.074
BindingDB Entry DOI: 10.7270/Q27H1KW1
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50402403
PNG
(CHEMBL2207730)
Show SMILES C(N1CCCCC1)c1ccc(Oc2nc3ncccc3s2)cc1
Show InChI InChI=1S/C18H19N3OS/c1-2-11-21(12-3-1)13-14-6-8-15(9-7-14)22-18-20-17-16(23-18)5-4-10-19-17/h4-10H,1-3,11-13H2
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n/an/a 3n/an/an/an/an/an/a



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LTA4 hydrolase expressed in SF9 cells using LTA4 as substrate assessed as LTB4 production incubated for 10 mins prior...


Bioorg Med Chem Lett 22: 7504-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.036
BindingDB Entry DOI: 10.7270/Q2ZG6TDQ
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50402391
PNG
(CHEMBL2207742)
Show SMILES C(Cc1ccc(Oc2nc3ncccc3s2)cc1)N1CCCCC1
Show InChI InChI=1S/C19H21N3OS/c1-2-12-22(13-3-1)14-10-15-6-8-16(9-7-15)23-19-21-18-17(24-19)5-4-11-20-18/h4-9,11H,1-3,10,12-14H2
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n/an/a 3n/an/an/an/an/an/a



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LTA4 hydrolase expressed in SF9 cells using LTA4 as substrate assessed as LTB4 production incubated for 10 mins prior...


Bioorg Med Chem Lett 22: 7504-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.036
BindingDB Entry DOI: 10.7270/Q2ZG6TDQ
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50402384
PNG
(CHEMBL2207749)
Show SMILES CC(=O)N1CC2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1
Show InChI InChI=1S/C21H22N4O2S/c1-14(26)25-12-16-10-24(11-17(16)13-25)9-15-4-6-18(7-5-15)27-21-23-20-19(28-21)3-2-8-22-20/h2-8,16-17H,9-13H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LTA4 hydrolase expressed in SF9 cells using LTA4 as substrate assessed as LTB4 production incubated for 10 mins prior...


Bioorg Med Chem Lett 22: 7504-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.036
BindingDB Entry DOI: 10.7270/Q2ZG6TDQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163246
PNG
(2-[4-(3,4-Dichloro-phenylsulfamoyl)-phenyl]-1H-ben...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2N4O3S/c21-15-7-4-13(10-16(15)22)26-30(28,29)14-5-1-11(2-6-14)20-24-17-8-3-12(19(23)27)9-18(17)25-20/h1-10,26H,(H2,23,27)(H,24,25)
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n/an/a 3.40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50425170
PNG
(CHEMBL2313569)
Show SMILES CC(=O)NC1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1
Show InChI InChI=1S/C22H22N4O3S/c1-14(27)24-16-6-9-26(10-7-16)12-15-13-28-19-11-17(4-5-18(15)19)29-22-25-21-20(30-22)3-2-8-23-21/h2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,24,27)
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n/an/a 3.70n/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LTA4H expressed in Sf9 cells using LTA4 as substrate incubated for 10 mins prior to substrate addition measured after...


Bioorg Med Chem Lett 23: 811-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.074
BindingDB Entry DOI: 10.7270/Q27H1KW1
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50402392
PNG
(CHEMBL2207741)
Show SMILES CC(=O)NC1CC2CCC(C1)N2CCOc1ccc(Oc2nc3ncccc3s2)cc1 |TLB:3:4:11:7.8|
Show InChI InChI=1S/C23H26N4O3S/c1-15(28)25-16-13-17-4-5-18(14-16)27(17)11-12-29-19-6-8-20(9-7-19)30-23-26-22-21(31-23)3-2-10-24-22/h2-3,6-10,16-18H,4-5,11-14H2,1H3,(H,25,28)
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n/an/a 4n/an/an/an/an/an/a



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LTA4 hydrolase expressed in SF9 cells using LTA4 as substrate assessed as LTB4 production incubated for 10 mins prior...


Bioorg Med Chem Lett 22: 7504-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.036
BindingDB Entry DOI: 10.7270/Q2ZG6TDQ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50377765
PNG
(CHEMBL254966)
Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C2CC2)c1
Show InChI InChI=1S/C31H26ClN7O2/c32-22-11-7-18(8-12-22)15-26(40)35-23-5-1-3-20(16-23)27-28(39-30(38-27)19-9-10-19)25-13-14-34-31(37-25)36-24-6-2-4-21(17-24)29(33)41/h1-8,11-14,16-17,19H,9-10,15H2,(H2,33,41)(H,35,40)(H,38,39)(H,34,36,37)
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n/an/a 4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of B-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163259
PNG
(2-[4-(3-Chloro-4-methyl-phenoxy)-phenyl]-1H-benzoi...)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1Cl
Show InChI InChI=1S/C21H16ClN3O2/c1-12-2-6-16(11-17(12)22)27-15-7-3-13(4-8-15)21-24-18-9-5-14(20(23)26)10-19(18)25-21/h2-11H,1H3,(H2,23,26)(H,24,25)
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n/an/a 4.40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
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