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4 similar compounds to monomer 50112637

Compile data set for download or QSAR
Wt: 1749.0
BDBM50112626
Wt: 429.4
BDBM50112634
Wt: 246.2
BDBM50112641
Wt: 252.2
BDBM50112645

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50112626,50112634,50112641,50112645   
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
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50112645
PNG
(CHEMBL3609435)
Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)ON)C=C1
Show InChI InChI=1S/C7H12N2O6S/c1-5(10)14-6-2-3-7(13-4-6)9-16(11,12)15-8/h2-3,6-7,9H,4,8H2,1H3/t6-,7?/m1/s1
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4n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50112641
PNG
(CHEMBL3609430)
Show SMILES NS(=O)(=O)ONC(=O)OCc1ccccc1
Show InChI InChI=1S/C8H10N2O5S/c9-16(12,13)15-10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H2,9,12,13)
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5n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50112645
PNG
(CHEMBL3609435)
Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)ON)C=C1
Show InChI InChI=1S/C7H12N2O6S/c1-5(10)14-6-2-3-7(13-4-6)9-16(11,12)15-8/h2-3,6-7,9H,4,8H2,1H3/t6-,7?/m1/s1
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24n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50112641
PNG
(CHEMBL3609430)
Show SMILES NS(=O)(=O)ONC(=O)OCc1ccccc1
Show InChI InChI=1S/C8H10N2O5S/c9-16(12,13)15-10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H2,9,12,13)
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31n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50112641
PNG
(CHEMBL3609430)
Show SMILES NS(=O)(=O)ONC(=O)OCc1ccccc1
Show InChI InChI=1S/C8H10N2O5S/c9-16(12,13)15-10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H2,9,12,13)
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49n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50112645
PNG
(CHEMBL3609435)
Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)ON)C=C1
Show InChI InChI=1S/C7H12N2O6S/c1-5(10)14-6-2-3-7(13-4-6)9-16(11,12)15-8/h2-3,6-7,9H,4,8H2,1H3/t6-,7?/m1/s1
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55n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50112641
PNG
(CHEMBL3609430)
Show SMILES NS(=O)(=O)ONC(=O)OCc1ccccc1
Show InChI InChI=1S/C8H10N2O5S/c9-16(12,13)15-10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H2,9,12,13)
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57n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50112645
PNG
(CHEMBL3609435)
Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)ON)C=C1
Show InChI InChI=1S/C7H12N2O6S/c1-5(10)14-6-2-3-7(13-4-6)9-16(11,12)15-8/h2-3,6-7,9H,4,8H2,1H3/t6-,7?/m1/s1
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86n/an/an/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 819-21 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00175
BindingDB Entry DOI: 10.7270/Q2NZ89D9
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50112634
PNG
(CHEMBL3608791)
Show SMILES C[C@H](Nc1nc2cc(F)ccc2o1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1
Show InChI InChI=1S/C24H20FN5O2/c1-14-6-7-16(15(2)27-24-29-19-12-17(25)8-9-21(19)32-24)11-18(14)28-23(31)20-13-26-22-5-3-4-10-30(20)22/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method


ACS Med Chem Lett 6: 798-803 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00143
BindingDB Entry DOI: 10.7270/Q2SQ925G
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens)
BDBM50112634
PNG
(CHEMBL3608791)
Show SMILES C[C@H](Nc1nc2cc(F)ccc2o1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1
Show InChI InChI=1S/C24H20FN5O2/c1-14-6-7-16(15(2)27-24-29-19-12-17(25)8-9-21(19)32-24)11-18(14)28-23(31)20-13-26-22-5-3-4-10-30(20)22/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method


ACS Med Chem Lett 6: 798-803 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00143
BindingDB Entry DOI: 10.7270/Q2SQ925G
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112626
PNG
(CHEMBL442514 | Carbocyanine derivative)
Show SMILES CSCCC(N)C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(=O)CC[N+]1=C(C=CC=C\C=C\C=C2\N(CCC(O)=O)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21
Show InChI InChI=1S/C91H114N18O16S/c1-52(2)42-65(104-83(119)62(92)38-41-126-10)87(123)105-67(44-58-46-94-51-99-58)85(121)97-49-77(115)107-81(53(3)4)89(125)100-54(5)82(118)103-66(43-57-45-95-63-27-21-20-24-59(57)63)88(124)102-64(32-35-73(93)111)84(120)96-47-75(113)101-68(50-110)86(122)98-48-76(114)106-74(112)36-39-108-69-33-30-55-22-16-18-25-60(55)79(69)90(6,7)71(108)28-14-12-11-13-15-29-72-91(8,9)80-61-26-19-17-23-56(61)31-34-70(80)109(72)40-37-78(116)117/h11-31,33-34,45-46,51-54,62,64-68,81,95,110H,32,35-44,47-50,92H2,1-10H3,(H14-,93,94,96,97,98,99,100,101,102,103,104,105,106,107,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125)/p+1
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n/an/a 1.80n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


Article DOI: 10.1021/jm010519l
BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair