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23 similar compounds to monomer 50230041

Compile data set for download or QSAR
Wt: 389.8
BDBM50230044
Wt: 259.2
BDBM50230015
Wt: 392.5
BDBM50204909
Wt: 408.4
BDBM50204911
Wt: 439.5
BDBM50203434
Wt: 361.4
BDBM50230042
Wt: 389.8
BDBM50230043
Wt: 375.7
BDBM50230045
Wt: 389.8
BDBM50230046
Wt: 826.9
BDBM50230028
Wt: 2132.5
BDBM50230020
Wt: 2190.6
BDBM50230026
Wt: 2143.5
BDBM50230019
Wt: 2160.6
BDBM50230021
Wt: 2168.6
BDBM50230022
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50230044,50230015,50204909,50204911,50203434,50230042,50230043,50230045,50230046,50230028,50230020,50230026,50230019,50230021,50230022   
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
Coagulation factor XII


(Homo sapiens (Human))
BDBM50230020
PNG
(CHEMBL4062902)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C91H146N34O20S3/c1-49(2)37-61-79(137)110-59(23-14-33-108-91(102)103)77(135)121-67(83(141)113-58(22-13-32-107-90(100)101)76(134)118-64(86(144)145)40-52-41-109-55-19-9-8-17-53(52)55)44-147-35-27-71(129)124-46-123-47-125(48-124)72(130)28-36-148-45-68(84(142)112-56(20-11-30-105-88(96)97)74(132)114-60(78(136)116-61)24-25-69(93)127)122-82(140)65(42-126)119-80(138)62(38-50(3)4)115-75(133)57(21-12-31-106-89(98)99)111-81(139)63(39-51-15-6-5-7-16-51)117-85(143)66(43-146-34-26-70(123)128)120-73(131)54(92)18-10-29-104-87(94)95/h5-9,15-17,19,41,49-50,54,56-68,109,126H,10-14,18,20-40,42-48,92H2,1-4H3,(H2,93,127)(H,110,137)(H,111,139)(H,112,142)(H,113,141)(H,114,132)(H,115,133)(H,116,136)(H,117,143)(H,118,134)(H,119,138)(H,120,131)(H,121,135)(H,122,140)(H,144,145)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1
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29n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne (EPFL)

Curated by ChEMBL


Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur...


J Med Chem 60: 1151-1158 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01548
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM50230019
PNG
(CHEMBL4085018)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccncc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C92H147N35O19S3/c1-50(2)39-62-80(138)112-60(19-11-32-110-92(103)104)78(136)122-67(82(140)115-59(18-10-31-109-91(101)102)77(135)120-65(87(145)146)42-53-43-111-56-15-6-5-13-54(53)56)45-148-37-26-72(130)125-47-124-48-126(49-125)73(131)27-38-149-46-68(83(141)114-57(16-8-29-107-89(97)98)75(133)116-61(79(137)117-62)21-22-70(94)128)123-85(143)69-20-12-35-127(69)86(144)64(40-51(3)4)119-76(134)58(17-9-30-108-90(99)100)113-81(139)63(41-52-23-33-105-34-24-52)118-84(142)66(44-147-36-25-71(124)129)121-74(132)55(93)14-7-28-106-88(95)96/h5-6,13,15,23-24,33-34,43,50-51,55,57-69,111H,7-12,14,16-22,25-32,35-42,44-49,93H2,1-4H3,(H2,94,128)(H,112,138)(H,113,139)(H,114,141)(H,115,140)(H,116,133)(H,117,137)(H,118,142)(H,119,134)(H,120,135)(H,121,132)(H,122,136)(H,123,143)(H,145,146)(H4,95,96,106)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
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57n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne (EPFL)

Curated by ChEMBL


Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur...


J Med Chem 60: 1151-1158 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01548
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM50230022
PNG
(CHEMBL4077206)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](C\C=C\c3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C95H150N34O19S3/c1-53(2)43-66-84(141)115-64(27-15-38-112-95(106)107)82(139)124-70(86(143)118-63(26-14-37-111-94(104)105)81(138)122-68(90(147)148)45-56-46-113-59-22-9-8-20-57(56)59)48-150-41-32-75(132)127-50-126-51-128(52-127)76(133)33-42-151-49-71(87(144)117-61(24-12-35-109-92(100)101)79(136)119-65(83(140)120-66)29-30-73(97)130)125-88(145)72-28-16-39-129(72)89(146)67(44-54(3)4)121-80(137)62(25-13-36-110-93(102)103)114-78(135)60(23-10-19-55-17-6-5-7-18-55)116-85(142)69(47-149-40-31-74(126)131)123-77(134)58(96)21-11-34-108-91(98)99/h5-10,17-20,22,46,53-54,58,60-72,113H,11-16,21,23-45,47-52,96H2,1-4H3,(H2,97,130)(H,114,135)(H,115,141)(H,116,142)(H,117,144)(H,118,143)(H,119,136)(H,120,140)(H,121,137)(H,122,138)(H,123,134)(H,124,139)(H,125,145)(H,147,148)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)/b19-10+/t58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
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114n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne (EPFL)

Curated by ChEMBL


Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur...


J Med Chem 60: 1151-1158 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01548
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM50230021
PNG
(CHEMBL4093432)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C92H146N34O19S4/c1-51(2)41-64-86(143)126-36-14-24-69(126)85(142)122-68-47-149-40-30-73(130)125-49-123(71(128)28-38-147-45-66(120-74(131)55(93)18-9-31-105-88(95)96)84(141)117-63(42-52-15-5-4-6-16-52)81(138)112-58(76(133)118-64)21-11-33-107-90(99)100)48-124(50-125)72(129)29-39-148-46-67(82(139)114-59(22-12-34-108-91(101)102)77(134)119-65(87(144)145)43-53-44-110-56-19-8-7-17-54(53)56)121-78(135)60(23-13-35-109-92(103)104)111-80(137)62(27-37-146-3)116-79(136)61(25-26-70(94)127)115-75(132)57(113-83(68)140)20-10-32-106-89(97)98/h4-8,15-17,19,44,51,55,57-69,110H,9-14,18,20-43,45-50,93H2,1-3H3,(H2,94,127)(H,111,137)(H,112,138)(H,113,140)(H,114,139)(H,115,132)(H,116,136)(H,117,141)(H,118,133)(H,119,134)(H,120,131)(H,121,135)(H,122,142)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
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143n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne (EPFL)

Curated by ChEMBL


Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur...


J Med Chem 60: 1151-1158 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01548
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM50230026
PNG
(CHEMBL4090965)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(NC(N)=N)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C97H148N34O19S3/c1-53(2)41-66-84(141)116-64(22-13-36-113-96(106)107)82(139)126-72(87(144)118-63(21-12-35-112-95(104)105)81(138)124-70(92(149)150)45-57-46-114-61-19-9-8-17-59(57)61)48-152-39-31-77(134)129-50-128-51-130(52-129)78(135)32-40-153-49-73(88(145)117-62(20-11-34-111-94(102)103)80(137)119-65(83(140)120-66)28-29-75(99)132)127-90(147)74-23-14-37-131(74)91(148)69(42-54(3)4)123-86(143)68(44-56-24-26-58(27-25-56)115-97(108)109)121-85(142)67(43-55-15-6-5-7-16-55)122-89(146)71(47-151-38-30-76(128)133)125-79(136)60(98)18-10-33-110-93(100)101/h5-9,15-17,19,24-27,46,53-54,60,62-74,114H,10-14,18,20-23,28-45,47-52,98H2,1-4H3,(H2,99,132)(H,116,141)(H,117,145)(H,118,144)(H,119,137)(H,120,140)(H,121,142)(H,122,146)(H,123,143)(H,124,138)(H,125,136)(H,126,139)(H,127,147)(H,149,150)(H4,100,101,110)(H4,102,103,111)(H4,104,105,112)(H4,106,107,113)(H4,108,109,115)/t60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1
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380n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne (EPFL)

Curated by ChEMBL


Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur...


J Med Chem 60: 1151-1158 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01548
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50230028
PNG
(CHEMBL4073375)
Show SMILES OS(O)(=O)=O.OS(O)(=O)=O.COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccccn1)S(=O)(=O)c1ccccc1N(C)C
Show InChI InChI=1S/C34H38N4O6S.2H2O4S/c1-36(2)24-10-5-6-11-27(24)45(41,42)38-20-18-33-30-22-12-14-26(43-4)31(30)44-32(33)25(16-17-34(33,40)28(38)21-22)37(3)29(39)15-13-23-9-7-8-19-35-23;2*1-5(2,3)4/h5-15,19,25,28,32,40H,16-18,20-21H2,1-4H3;2*(H2,1,2,3,4)/b15-13+;;/t25-,28-,32+,33+,34-;;/m1../s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method


J Med Chem 60: 1018-1040 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01418
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50230028
PNG
(CHEMBL4073375)
Show SMILES OS(O)(=O)=O.OS(O)(=O)=O.COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccccn1)S(=O)(=O)c1ccccc1N(C)C
Show InChI InChI=1S/C34H38N4O6S.2H2O4S/c1-36(2)24-10-5-6-11-27(24)45(41,42)38-20-18-33-30-22-12-14-26(43-4)31(30)44-32(33)25(16-17-34(33,40)28(38)21-22)37(3)29(39)15-13-23-9-7-8-19-35-23;2*1-5(2,3)4/h5-15,19,25,28,32,40H,16-18,20-21H2,1-4H3;2*(H2,1,2,3,4)/b15-13+;;/t25-,28-,32+,33+,34-;;/m1../s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method


J Med Chem 60: 1018-1040 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01418
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50230028
PNG
(CHEMBL4073375)
Show SMILES OS(O)(=O)=O.OS(O)(=O)=O.COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccccn1)S(=O)(=O)c1ccccc1N(C)C
Show InChI InChI=1S/C34H38N4O6S.2H2O4S/c1-36(2)24-10-5-6-11-27(24)45(41,42)38-20-18-33-30-22-12-14-26(43-4)31(30)44-32(33)25(16-17-34(33,40)28(38)21-22)37(3)29(39)15-13-23-9-7-8-19-35-23;2*1-5(2,3)4/h5-15,19,25,28,32,40H,16-18,20-21H2,1-4H3;2*(H2,1,2,3,4)/b15-13+;;/t25-,28-,32+,33+,34-;;/m1../s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method


J Med Chem 60: 1018-1040 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01418
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50204911
PNG
(CHEMBL3957246)
Show SMILES Nc1c2CCCCCc2nc2Oc3[nH]nc(c3C(c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C26H24N4O/c27-23-18-14-8-3-9-15-19(18)28-25-21(23)20(16-10-4-1-5-11-16)22-24(29-30-26(22)31-25)17-12-6-2-7-13-17/h1-2,4-7,10-13,20H,3,8-9,14-15H2,(H2,27,28)(H,29,30)
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n/an/a 9n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204911
PNG
(CHEMBL3957246)
Show SMILES Nc1c2CCCCCc2nc2Oc3[nH]nc(c3C(c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C26H24N4O/c27-23-18-14-8-3-9-15-19(18)28-25-21(23)20(16-10-4-1-5-11-16)22-24(29-30-26(22)31-25)17-12-6-2-7-13-17/h1-2,4-7,10-13,20H,3,8-9,14-15H2,(H2,27,28)(H,29,30)
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n/an/a 54n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204909
PNG
(CHEMBL3930499)
Show SMILES CCCc1n[nH]c2Oc3nc4CCSCc4c(N)c3C(c12)c1ccc(C)cc1
Show InChI InChI=1S/C22H24N4OS/c1-3-4-16-18-17(13-7-5-12(2)6-8-13)19-20(23)14-11-28-10-9-15(14)24-21(19)27-22(18)26-25-16/h5-8,17H,3-4,9-11H2,1-2H3,(H2,23,24)(H,25,26)
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n/an/a 1.03E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50204909
PNG
(CHEMBL3930499)
Show SMILES CCCc1n[nH]c2Oc3nc4CCSCc4c(N)c3C(c12)c1ccc(C)cc1
Show InChI InChI=1S/C22H24N4OS/c1-3-4-16-18-17(13-7-5-12(2)6-8-13)19-20(23)14-11-28-10-9-15(14)24-21(19)27-22(18)26-25-16/h5-8,17H,3-4,9-11H2,1-2H3,(H2,23,24)(H,25,26)
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n/an/a 73n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50230015
PNG
(CHEMBL324105)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(C=C)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H13N5O2/c1-2-6-3-7(10(19)9(6)18)17-5-16-8-11(13)14-4-15-12(8)17/h2-5,7,9-10,18-19H,1H2,(H2,13,14,15)/t7-,9-,10+/m1/s1
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n/an/a>10n/an/an/an/an/an/a



Toyo Jozo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect against S-adenosyl-L-homocysteine hydrolase of rabbit erythrocyte.


J Med Chem 35: 324-31 (1992)


Article DOI: 10.1021/jm00080a018
BindingDB Entry DOI: 10.7270/Q2RX9B1R
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203434
PNG
(CHEMBL3923131)
Show SMILES C[C@H](NS(C)(=O)=O)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H22FN3O3S/c1-16(26-31(2,28)29)23(17-6-4-3-5-7-17)30-21-12-13-22-18(14-21)15-25-27(22)20-10-8-19(24)9-11-20/h3-16,23,26H,1-2H3/t16-,23-/m0/s1
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n/an/a 7.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...


Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50230046
PNG
(CHEMBL125799)
Show SMILES [Na+].[O-]C(=O)CCCOc1cccc(\C=C\c2ccc3cc(Cl)ccc3n2)c1
Show InChI InChI=1S/C21H18ClNO3.Na/c22-17-8-11-20-16(14-17)7-10-18(23-20)9-6-15-3-1-4-19(13-15)26-12-2-5-21(24)25;/h1,3-4,6-11,13-14H,2,5,12H2,(H,24,25);/q;+1/p-1/b9-6+;
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n/an/a 270n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 35: 3832-44 (1992)


Article DOI: 10.1021/jm00099a011
BindingDB Entry DOI: 10.7270/Q2TQ625N
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50230043
PNG
(CHEMBL125978)
Show SMILES [Na+].CC(Oc1cccc(c1)C(\C)=C/c1ccc2ccc(Cl)cc2n1)C([O-])=O
Show InChI InChI=1S/C21H18ClNO3.Na/c1-13(16-4-3-5-19(11-16)26-14(2)21(24)25)10-18-9-7-15-6-8-17(22)12-20(15)23-18;/h3-12,14H,1-2H3,(H,24,25);/q;+1/p-1/b13-10-;
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n/an/a 495n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 35: 3832-44 (1992)


Article DOI: 10.1021/jm00099a011
BindingDB Entry DOI: 10.7270/Q2TQ625N
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50230045
PNG
(CHEMBL340726)
Show SMILES [Na+].CC(Oc1cccc(\C=C/c2ccc3ccc(Cl)cc3n2)c1)C([O-])=O
Show InChI InChI=1S/C20H16ClNO3.Na/c1-13(20(23)24)25-18-4-2-3-14(11-18)5-9-17-10-7-15-6-8-16(21)12-19(15)22-17;/h2-13H,1H3,(H,23,24);/q;+1/p-1/b9-5-;
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n/an/a 15n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 35: 3832-44 (1992)


Article DOI: 10.1021/jm00099a011
BindingDB Entry DOI: 10.7270/Q2TQ625N
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50230042
PNG
(CHEMBL127530)
Show SMILES CCOC(=O)CCCOc1cccc(\C=C\c2ccc3ccccc3n2)c1
Show InChI InChI=1S/C23H23NO3/c1-2-26-23(25)11-6-16-27-21-9-5-7-18(17-21)12-14-20-15-13-19-8-3-4-10-22(19)24-20/h3-5,7-10,12-15,17H,2,6,11,16H2,1H3/b14-12+
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n/an/a 580n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 35: 3832-44 (1992)


Article DOI: 10.1021/jm00099a011
BindingDB Entry DOI: 10.7270/Q2TQ625N
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50230044
PNG
(CHEMBL123577)
Show SMILES [Na+].[O-]C(=O)CCCOc1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C21H18ClNO3.Na/c22-17-9-7-16-8-11-18(23-20(16)14-17)10-6-15-3-1-4-19(13-15)26-12-2-5-21(24)25;/h1,3-4,6-11,13-14H,2,5,12H2,(H,24,25);/q;+1/p-1/b10-6+;
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n/an/a 39n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 35: 3832-44 (1992)


Article DOI: 10.1021/jm00099a011
BindingDB Entry DOI: 10.7270/Q2TQ625N
More data for this
Ligand-Target Pair