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15 similar compounds to monomer 50000167

Compile data set for download or QSAR
Wt: 510.6
BDBM50001582
Wt: 534.6
BDBM50001580
Wt: 714.8
BDBM50001590
Wt: 414.5
BDBM50001584
Purchase
Wt: 432.4
BDBM50001585
Wt: 628.8
BDBM50001588
Wt: 257.2
BDBM50000177
Wt: 168.1
BDBM50013811
Purchase
Wt: 258.2
BDBM50083910
Wt: 258.2
BDBM50083891
Wt: 307.3
BDBM50332189
Wt: 1082.3
BDBM50030265
Wt: 270.3
BDBM50098435
Wt: 411.3
BDBM50091957
Wt: 221.2
BDBM50176907

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 58 hits for monomerid = 50001582,50001580,50001590,50001584,50001585,50001588,50000177,50013811,50083910,50083891,50332189,50030265,50098435,50091957,50176907   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001590
PNG
(CHEMBL3237722)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C34H46N6O7S2/c1-18-11-22(42)12-19(2)23(18)13-24(35)29(44)38-26-17-48-9-10-49-33(3,4)27(31(46)37-25(16-41)28(36)43)39-32(47)34(40-30(26)45)14-20-7-5-6-8-21(20)15-34/h5-8,11-12,24-27,41-42H,9-10,13-17,35H2,1-4H3,(H2,36,43)(H,37,46)(H,38,44)(H,39,47)(H,40,45)/t24-,25-,26+,27-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001590
PNG
(CHEMBL3237722)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C34H46N6O7S2/c1-18-11-22(42)12-19(2)23(18)13-24(35)29(44)38-26-17-48-9-10-49-33(3,4)27(31(46)37-25(16-41)28(36)43)39-32(47)34(40-30(26)45)14-20-7-5-6-8-21(20)15-34/h5-8,11-12,24-27,41-42H,9-10,13-17,35H2,1-4H3,(H2,36,43)(H,37,46)(H,38,44)(H,39,47)(H,40,45)/t24-,25-,26+,27-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analy...


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50000177
PNG
(7,12-Dihydro-5,7,12-triaza-indeno[1,2-a]fluorene |...)
Show SMILES c1ccc2c(c1)[nH]c1cnc3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H
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1.10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50000177
PNG
(7,12-Dihydro-5,7,12-triaza-indeno[1,2-a]fluorene |...)
Show SMILES c1ccc2c(c1)[nH]c1cnc3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H
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1.10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50000177
PNG
(7,12-Dihydro-5,7,12-triaza-indeno[1,2-a]fluorene |...)
Show SMILES c1ccc2c(c1)[nH]c1cnc3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H
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1.20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001588
PNG
(CHEMBL3237720)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(O)=O
Show InChI InChI=1S/C31H40N4O6S2/c1-17-11-21(36)12-18(2)22(17)13-23(32)26(37)33-24-16-42-9-10-43-30(3,4)25(28(39)40)34-29(41)31(35-27(24)38)14-19-7-5-6-8-20(19)15-31/h5-8,11-12,23-25,36H,9-10,13-16,32H2,1-4H3,(H,33,37)(H,34,41)(H,35,38)(H,39,40)/t23-,24+,25-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analy...


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001588
PNG
(CHEMBL3237720)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(O)=O
Show InChI InChI=1S/C31H40N4O6S2/c1-17-11-21(36)12-18(2)22(17)13-23(32)26(37)33-24-16-42-9-10-43-30(3,4)25(28(39)40)34-29(41)31(35-27(24)38)14-19-7-5-6-8-20(19)15-31/h5-8,11-12,23-25,36H,9-10,13-16,32H2,1-4H3,(H,33,37)(H,34,41)(H,35,38)(H,39,40)/t23-,24+,25-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083891
PNG
(7,12-Dihydro-2,5,7,12-tetraaza-indeno[1,2-a]fluore...)
Show SMILES c1ccc2c(c1)[nH]c1c[nH]c3c4ccncc4nc3c21
Show InChI InChI=1S/C16H8N4/c1-2-4-11-9(3-1)14-13(19-11)8-18-15-10-5-6-17-7-12(10)20-16(14)15/h1-8H
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3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083891
PNG
(7,12-Dihydro-2,5,7,12-tetraaza-indeno[1,2-a]fluore...)
Show SMILES c1ccc2c(c1)[nH]c1c[nH]c3c4ccncc4nc3c21
Show InChI InChI=1S/C16H8N4/c1-2-4-11-9(3-1)14-13(19-11)8-18-15-10-5-6-17-7-12(10)20-16(14)15/h1-8H
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24n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083910
PNG
(7,12-Dihydro-4,5,7,12-tetraaza-indeno[1,2-a]fluore...)
Show SMILES c1ccc2c(c1)[nH]c1c[nH]c3c(nc4cccnc34)c21
Show InChI InChI=1S/C16H8N4/c1-2-5-10-9(4-1)13-12(19-10)8-18-16-14-11(20-15(13)16)6-3-7-17-14/h1-8H
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28n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083891
PNG
(7,12-Dihydro-2,5,7,12-tetraaza-indeno[1,2-a]fluore...)
Show SMILES c1ccc2c(c1)[nH]c1c[nH]c3c4ccncc4nc3c21
Show InChI InChI=1S/C16H8N4/c1-2-4-11-9(3-1)14-13(19-11)8-18-15-10-5-6-17-7-12(10)20-16(14)15/h1-8H
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31n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50000177
PNG
(7,12-Dihydro-5,7,12-triaza-indeno[1,2-a]fluorene |...)
Show SMILES c1ccc2c(c1)[nH]c1cnc3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H
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40n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001590
PNG
(CHEMBL3237722)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C34H46N6O7S2/c1-18-11-22(42)12-19(2)23(18)13-24(35)29(44)38-26-17-48-9-10-49-33(3,4)27(31(46)37-25(16-41)28(36)43)39-32(47)34(40-30(26)45)14-20-7-5-6-8-21(20)15-34/h5-8,11-12,24-27,41-42H,9-10,13-17,35H2,1-4H3,(H2,36,43)(H,37,46)(H,38,44)(H,39,47)(H,40,45)/t24-,25-,26+,27-/m0/s1
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93n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 1 hr by liquid scintillation counting analys...


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083910
PNG
(7,12-Dihydro-4,5,7,12-tetraaza-indeno[1,2-a]fluore...)
Show SMILES c1ccc2c(c1)[nH]c1c[nH]c3c(nc4cccnc34)c21
Show InChI InChI=1S/C16H8N4/c1-2-5-10-9(4-1)13-12(19-10)8-18-16-14-11(20-15(13)16)6-3-7-17-14/h1-8H
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118n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50013811
PNG
(9H-beta-Carboline | 9H-pyrido[3,4-b]indole | CHEMB...)
Show SMILES c1ccc2c(c1)[nH]c1cnccc21
Show InChI InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
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120n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of IDO


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083910
PNG
(7,12-Dihydro-4,5,7,12-tetraaza-indeno[1,2-a]fluore...)
Show SMILES c1ccc2c(c1)[nH]c1c[nH]c3c(nc4cccnc34)c21
Show InChI InChI=1S/C16H8N4/c1-2-5-10-9(4-1)13-12(19-10)8-18-16-14-11(20-15(13)16)6-3-7-17-14/h1-8H
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156n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083891
PNG
(7,12-Dihydro-2,5,7,12-tetraaza-indeno[1,2-a]fluore...)
Show SMILES c1ccc2c(c1)[nH]c1c[nH]c3c4ccncc4nc3c21
Show InChI InChI=1S/C16H8N4/c1-2-4-11-9(3-1)14-13(19-11)8-18-15-10-5-6-17-7-12(10)20-16(14)15/h1-8H
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240n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001588
PNG
(CHEMBL3237720)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(O)=O
Show InChI InChI=1S/C31H40N4O6S2/c1-17-11-21(36)12-18(2)22(17)13-23(32)26(37)33-24-16-42-9-10-43-30(3,4)25(28(39)40)34-29(41)31(35-27(24)38)14-19-7-5-6-8-20(19)15-31/h5-8,11-12,23-25,36H,9-10,13-16,32H2,1-4H3,(H,33,37)(H,34,41)(H,35,38)(H,39,40)/t23-,24+,25-/m0/s1
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776n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 1 hr by liquid scintillation counting analys...


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50000177
PNG
(7,12-Dihydro-5,7,12-triaza-indeno[1,2-a]fluorene |...)
Show SMILES c1ccc2c(c1)[nH]c1cnc3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083910
PNG
(7,12-Dihydro-4,5,7,12-tetraaza-indeno[1,2-a]fluore...)
Show SMILES c1ccc2c(c1)[nH]c1c[nH]c3c(nc4cccnc34)c21
Show InChI InChI=1S/C16H8N4/c1-2-5-10-9(4-1)13-12(19-10)8-18-16-14-11(20-15(13)16)6-3-7-17-14/h1-8H
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1.00E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50013811
PNG
(9H-beta-Carboline | 9H-pyrido[3,4-b]indole | CHEMB...)
Show SMILES c1ccc2c(c1)[nH]c1cnccc21
Show InChI InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
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1.20E+3n/an/an/an/an/an/an/an/a



Federal University of Rio de Janeiro

Curated by ChEMBL


Assay Description
Reversible inhibition of MAO-B


Bioorg Med Chem 19: 7416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.10.049
BindingDB Entry DOI: 10.7270/Q2571CFB
More data for this
Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083910
PNG
(7,12-Dihydro-4,5,7,12-tetraaza-indeno[1,2-a]fluore...)
Show SMILES c1ccc2c(c1)[nH]c1c[nH]c3c(nc4cccnc34)c21
Show InChI InChI=1S/C16H8N4/c1-2-5-10-9(4-1)13-12(19-10)8-18-16-14-11(20-15(13)16)6-3-7-17-14/h1-8H
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083891
PNG
(7,12-Dihydro-2,5,7,12-tetraaza-indeno[1,2-a]fluore...)
Show SMILES c1ccc2c(c1)[nH]c1c[nH]c3c4ccncc4nc3c21
Show InChI InChI=1S/C16H8N4/c1-2-4-11-9(3-1)14-13(19-11)8-18-15-10-5-6-17-7-12(10)20-16(14)15/h1-8H
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50332189
PNG
(14H-diindolo[2,3-a:3',2'-h]quinolizine | CHEMBL128...)
Show SMILES c1ccc2c(c1)nc1c2ccn2ccc3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C21H13N3/c1-3-7-17-13(5-1)15-9-11-24-12-10-16-14-6-2-4-8-18(14)23-20(16)21(24)19(15)22-17/h1-12,22H
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2


Bioorg Med Chem Lett 20: 7331-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.070
BindingDB Entry DOI: 10.7270/Q2M32W16
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50030265
PNG
(CHEMBL3339224)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H](COC)c2ccccc2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C
Show InChI InChI=1S/C62H83N9O8/c1-38(63-9)54(72)67-52(61(3,4)5)59(77)70-35-45-24-16-15-23-44(45)32-50(70)58(76)69(51(37-79-11)42-21-13-12-14-22-42)34-40-28-30-43(31-29-40)56(74)65-46-33-49(57(75)66-48-27-19-25-41-20-17-18-26-47(41)48)71(36-46)60(78)53(62(6,7)8)68-55(73)39(2)64-10/h12-18,20-24,26,28-31,38-39,46,48-53,63-64H,19,25,27,32-37H2,1-11H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t38-,39-,46-,48+,49-,50-,51+,52+,53+/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay


Bioorg Med Chem Lett 24: 5022-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50030265
PNG
(CHEMBL3339224)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CN([C@H](COC)c2ccccc2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C
Show InChI InChI=1S/C62H83N9O8/c1-38(63-9)54(72)67-52(61(3,4)5)59(77)70-35-45-24-16-15-23-44(45)32-50(70)58(76)69(51(37-79-11)42-21-13-12-14-22-42)34-40-28-30-43(31-29-40)56(74)65-46-33-49(57(75)66-48-27-19-25-41-20-17-18-26-47(41)48)71(36-46)60(78)53(62(6,7)8)68-55(73)39(2)64-10/h12-18,20-24,26,28-31,38-39,46,48-53,63-64H,19,25,27,32-37H2,1-11H3,(H,65,74)(H,66,75)(H,67,72)(H,68,73)/t38-,39-,46-,48+,49-,50-,51+,52+,53+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cIAP1 BIR2-3 (unknown origin) assessed as inhibition of polarization activity using N-His-Tb-cBir2-3(154-352) by fluorescence polarizat...


Bioorg Med Chem Lett 24: 5022-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.022
BindingDB Entry DOI: 10.7270/Q22J6DG8
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50091957
PNG
(CHEMBL3582387)
Show SMILES Fc1ccc(NS(=O)(=O)c2cccnc2)c(F)c1C#Cc1cnc2[nH]ncc2c1
Show InChI InChI=1S/C19H11F2N5O2S/c20-16-5-6-17(26-29(27,28)14-2-1-7-22-11-14)18(21)15(16)4-3-12-8-13-10-24-25-19(13)23-9-12/h1-2,5-11,26H,(H,23,24,25)
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n/an/a 51n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay


ACS Med Chem Lett 6: 543-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00039
BindingDB Entry DOI: 10.7270/Q26W9CT5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50098435
PNG
(CHEMBL3593578)
Show SMILES O=c1[nH]c2cnc3[nH]ccc3c2n1CC1CCCCC1
Show InChI InChI=1S/C15H18N4O/c20-15-18-12-8-17-14-11(6-7-16-14)13(12)19(15)9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)(H,18,20)
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n/an/a 60n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate and ATP incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4846-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.028
BindingDB Entry DOI: 10.7270/Q2SX6G04
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50098435
PNG
(CHEMBL3593578)
Show SMILES O=c1[nH]c2cnc3[nH]ccc3c2n1CC1CCCCC1
Show InChI InChI=1S/C15H18N4O/c20-15-18-12-8-17-14-11(6-7-16-14)13(12)19(15)9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)(H,18,20)
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n/an/a 88n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate and ATP incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4846-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.028
BindingDB Entry DOI: 10.7270/Q2SX6G04
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50098435
PNG
(CHEMBL3593578)
Show SMILES O=c1[nH]c2cnc3[nH]ccc3c2n1CC1CCCCC1
Show InChI InChI=1S/C15H18N4O/c20-15-18-12-8-17-14-11(6-7-16-14)13(12)19(15)9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)(H,18,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate and ATP incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4846-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.028
BindingDB Entry DOI: 10.7270/Q2SX6G04
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50176907
PNG
(CHEMBL3814729)
Show SMILES NCCCCCC(=O)NCc1cccnc1
Show InChI InChI=1S/C12H19N3O/c13-7-3-1-2-6-12(16)15-10-11-5-4-8-14-9-11/h4-5,8-9H,1-3,6-7,10,13H2,(H,15,16)
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of California-Irvine

Curated by ChEMBL


Assay Description
Inhibition of C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as 7-benzyloxy-4-(trifluorome...


J Med Chem 59: 4210-20 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01146
BindingDB Entry DOI: 10.7270/Q2Q52RKB
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50176907
PNG
(CHEMBL3814729)
Show SMILES NCCCCCC(=O)NCc1cccnc1
Show InChI InChI=1S/C12H19N3O/c13-7-3-1-2-6-12(16)15-10-11-5-4-8-14-9-11/h4-5,8-9H,1-3,6-7,10,13H2,(H,15,16)
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n/an/an/a 1.00E+4n/an/an/an/an/a



University of California-Irvine

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as spectral dissociatio...


J Med Chem 59: 4210-20 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01146
BindingDB Entry DOI: 10.7270/Q2Q52RKB
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50013811
PNG
(9H-beta-Carboline | 9H-pyrido[3,4-b]indole | CHEMB...)
Show SMILES c1ccc2c(c1)[nH]c1cnccc21
Show InChI InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
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n/an/a 9.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human IDO1 expressed in Escherichia coli using tryptophan as substrate by spectrophotometric analysis


Bioorg Med Chem 20: 1354-63 (2012)


Article DOI: 10.1016/j.bmc.2011.10.068
BindingDB Entry DOI: 10.7270/Q28P60ZT
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50013811
PNG
(9H-beta-Carboline | 9H-pyrido[3,4-b]indole | CHEMB...)
Show SMILES c1ccc2c(c1)[nH]c1cnccc21
Show InChI InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
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n/an/a>2.50E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against protein kinase A.


Bioorg Med Chem Lett 13: 2419-22 (2003)


Article DOI: 10.1016/s0960-894x(03)00408-6
BindingDB Entry DOI: 10.7270/Q2PK0FJ7
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001590
PNG
(CHEMBL3237722)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C34H46N6O7S2/c1-18-11-22(42)12-19(2)23(18)13-24(35)29(44)38-26-17-48-9-10-49-33(3,4)27(31(46)37-25(16-41)28(36)43)39-32(47)34(40-30(26)45)14-20-7-5-6-8-21(20)15-34/h5-8,11-12,24-27,41-42H,9-10,13-17,35H2,1-4H3,(H2,36,43)(H,37,46)(H,38,44)(H,39,47)(H,40,45)/t24-,25-,26+,27-/m0/s1
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n/an/an/an/a 3.40n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cells assessed as stimulation of [35S]-GTPgammaS binding after 1 hr by GF/C filters


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001588
PNG
(CHEMBL3237720)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(O)=O
Show InChI InChI=1S/C31H40N4O6S2/c1-17-11-21(36)12-18(2)22(17)13-23(32)26(37)33-24-16-42-9-10-43-30(3,4)25(28(39)40)34-29(41)31(35-27(24)38)14-19-7-5-6-8-20(19)15-31/h5-8,11-12,23-25,36H,9-10,13-16,32H2,1-4H3,(H,33,37)(H,34,41)(H,35,38)(H,39,40)/t23-,24+,25-/m0/s1
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n/an/an/an/a 4.70n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cells assessed as stimulation of [35S]-GTPgammaS binding after 1 hr by GF/C filters


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50001585
PNG
(CHEMBL3237443 | US8841312, 57)
Show SMILES Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Show InChI InChI=1S/C23H25FN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30)
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n/an/a 720n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50001585
PNG
(CHEMBL3237443 | US8841312, 57)
Show SMILES Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Show InChI InChI=1S/C23H25FN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30)
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n/an/a 7.56E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone H1 as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50001584
PNG
(CHEMBL3237442 | US8841312, 1)
Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
Show InChI InChI=1S/C23H26N8/c1-2-4-16(3-1)31-20-15-25-8-7-18(20)19-14-27-23(29-22(19)31)28-21-6-5-17(13-26-21)30-11-9-24-10-12-30/h5-8,13-16,24H,1-4,9-12H2,(H,26,27,28,29)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone H1 as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50001582
PNG
(CHEMBL3237717)
Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC4(CCC(=O)N4)CC3)nc12
Show InChI InChI=1S/C29H34N8O/c1-19-2-4-20(5-3-19)37-24-18-30-13-9-22(24)23-17-32-28(34-27(23)37)33-25-7-6-21(16-31-25)36-14-11-29(12-15-36)10-8-26(38)35-29/h6-7,9,13,16-20H,2-5,8,10-12,14-15H2,1H3,(H,35,38)(H,31,32,33,34)/t19-,20-
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50001580
PNG
(CHEMBL3237715)
Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CS(C)(=O)=O)CC3)nc12
Show InChI InChI=1S/C27H34N8O2S/c1-18-3-5-20(6-4-18)35-23-16-28-12-9-21(23)22-15-29-27(31-26(22)35)30-24-7-8-25(33-32-24)34-13-10-19(11-14-34)17-38(2,36)37/h7-9,12,15-16,18-20H,3-6,10-11,13-14,17H2,1-2H3,(H,29,30,31,32)/t18-,20-
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n/an/a 9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50001585
PNG
(CHEMBL3237443 | US8841312, 57)
Show SMILES Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Show InChI InChI=1S/C23H25FN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50001584
PNG
(CHEMBL3237442 | US8841312, 1)
Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
Show InChI InChI=1S/C23H26N8/c1-2-4-16(3-1)31-20-15-25-8-7-18(20)19-14-27-23(29-22(19)31)28-21-6-5-17(13-26-21)30-11-9-24-10-12-30/h5-8,13-16,24H,1-4,9-12H2,(H,26,27,28,29)
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n/an/a 550n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50001585
PNG
(CHEMBL3237443 | US8841312, 57)
Show SMILES Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Show InChI InChI=1S/C23H25FN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50001584
PNG
(CHEMBL3237442 | US8841312, 1)
Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
Show InChI InChI=1S/C23H26N8/c1-2-4-16(3-1)31-20-15-25-8-7-18(20)19-14-27-23(29-22(19)31)28-21-6-5-17(13-26-21)30-11-9-24-10-12-30/h5-8,13-16,24H,1-4,9-12H2,(H,26,27,28,29)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50001582
PNG
(CHEMBL3237717)
Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC4(CCC(=O)N4)CC3)nc12
Show InChI InChI=1S/C29H34N8O/c1-19-2-4-20(5-3-19)37-24-18-30-13-9-22(24)23-17-32-28(34-27(23)37)33-25-7-6-21(16-31-25)36-14-11-29(12-15-36)10-8-26(38)35-29/h6-7,9,13,16-20H,2-5,8,10-12,14-15H2,1H3,(H,35,38)(H,31,32,33,34)/t19-,20-
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50001580
PNG
(CHEMBL3237715)
Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCC(CS(C)(=O)=O)CC3)nc12
Show InChI InChI=1S/C27H34N8O2S/c1-18-3-5-20(6-4-18)35-23-16-28-12-9-21(23)22-15-29-27(31-26(22)35)30-24-7-8-25(33-32-24)34-13-10-19(11-14-34)17-38(2,36)37/h7-9,12,15-16,18-20H,3-6,10-11,13-14,17H2,1-2H3,(H,29,30,31,32)/t18-,20-
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50001585
PNG
(CHEMBL3237443 | US8841312, 57)
Show SMILES Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Show InChI InChI=1S/C23H25FN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30)
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50001584
PNG
(CHEMBL3237442 | US8841312, 1)
Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
Show InChI InChI=1S/C23H26N8/c1-2-4-16(3-1)31-20-15-25-8-7-18(20)19-14-27-23(29-22(19)31)28-21-6-5-17(13-26-21)30-11-9-24-10-12-30/h5-8,13-16,24H,1-4,9-12H2,(H,26,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50001582
PNG
(CHEMBL3237717)
Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCC4(CCC(=O)N4)CC3)nc12
Show InChI InChI=1S/C29H34N8O/c1-19-2-4-20(5-3-19)37-24-18-30-13-9-22(24)23-17-32-28(34-27(23)37)33-25-7-6-21(16-31-25)36-14-11-29(12-15-36)10-8-26(38)35-29/h6-7,9,13,16-20H,2-5,8,10-12,14-15H2,1H3,(H,35,38)(H,31,32,33,34)/t19-,20-
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n/an/a 1.77E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone H1 as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
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