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7 similar compounds to monomer 50219255

Compile data set for download or QSAR
Wt: 1471.5
BDBM50075722
Wt: 1471.5
BDBM50075723
Wt: 372.1
BDBM50216773
Wt: 264.2
BDBM50216774
Wt: 276.2
BDBM50216776
Wt: 325.1
BDBM50216775
Wt: 544.5
BDBM50219251

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50075722,50075723,50216773,50216774,50216776,50216775,50219251   
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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50075722
PNG
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...)
Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1
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0.170n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells


J Med Chem 42: 1312-9 (1999)


Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50075722
PNG
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...)
Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...


J Med Chem 42: 1312-9 (1999)


Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50075723
PNG
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Lys(5C-Flu)-Pro...)
Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N([C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)85-55(35-42-9-3-2-4-10-42)67(99)84-54(29-30-62(77)94)66(98)86-56(40-63(78)95)71(103)89(58(12-5-6-32-76)72(104)88-34-8-13-57(88)68(100)83-53(65(79)97)11-7-33-82-74(80)81)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,100)(H,84,99)(H,85,101)(H,86,98)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1
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5.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells


J Med Chem 42: 1312-9 (1999)


Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50075722
PNG
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...)
Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1
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142n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...


J Med Chem 42: 1312-9 (1999)


Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50075722
PNG
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...)
Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1
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9.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...


J Med Chem 42: 1312-9 (1999)


Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50216776
PNG
(CHEMBL58689)
Show SMILES COc1ccccc1C(=O)OCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C13H12N2O5/c1-19-10-5-3-2-4-9(10)12(17)20-8-15-7-6-11(16)14-13(15)18/h2-7H,8H2,1H3,(H,14,16,18)
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n/an/a>100n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50216774
PNG
(CHEMBL58964)
Show SMILES Fc1ccc(cc1)C(=O)OCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C12H9FN2O4/c13-9-3-1-8(2-4-9)11(17)19-7-15-6-5-10(16)14-12(15)18/h1-6H,7H2,(H,14,16,18)
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n/an/a 56n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50216775
PNG
(CHEMBL57654)
Show SMILES Brc1ccc(cc1)C(=O)OCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C12H9BrN2O4/c13-9-3-1-8(2-4-9)11(17)19-7-15-6-5-10(16)14-12(15)18/h1-6H,7H2,(H,14,16,18)
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n/an/a 55n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50216773
PNG
(CHEMBL61025)
Show SMILES Ic1ccc(cc1)C(=O)OCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C12H9IN2O4/c13-9-3-1-8(2-4-9)11(17)19-7-15-6-5-10(16)14-12(15)18/h1-6H,7H2,(H,14,16,18)
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n/an/a>100n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus-Mus musculus (mouse))
BDBM50219251
PNG
(CHEMBL423071)
Show SMILES C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H29FN6O4/c1-29(27(37)36-13-15-38-16-14-36)17-39-26(40-18-29)25-34-23(19-7-9-20(30)10-8-19)24(35-25)22-11-12-31-28(33-22)32-21-5-3-2-4-6-21/h2-12,26H,13-18H2,1H3,(H,34,35)(H,31,32,33)/t26-,29-
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n/an/a 16n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against p38 kinase (40 ng/well) was determined in mouse


Bioorg Med Chem Lett 11: 693-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00034-8
More data for this
Ligand-Target Pair