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3 similar compounds to monomer 50180781

Compile data set for download or QSAR
Wt: 1417.6
BDBM50180776
Wt: 812.0
BDBM50366439
Wt: 796.9
BDBM50415636

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50180776,50366439,50415636   
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
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180776
PNG
(CHEMBL2371892 | FVPTDVG-Tic-FAF-Tic)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C75H92N12O16/c1-42(2)62(82-68(95)55(38-61(90)91)80-72(99)64(45(6)88)84-69(96)57-31-20-32-85(57)74(101)63(43(3)4)83-66(93)53(76)33-46-21-10-7-11-22-46)71(98)77-39-60(89)86-40-51-29-18-16-27-49(51)36-58(86)70(97)79-54(34-47-23-12-8-13-24-47)67(94)78-44(5)65(92)81-56(35-48-25-14-9-15-26-48)73(100)87-41-52-30-19-17-28-50(52)37-59(87)75(102)103/h7-19,21-30,42-45,53-59,62-64,88H,20,31-41,76H2,1-6H3,(H,77,98)(H,78,94)(H,79,97)(H,80,99)(H,81,92)(H,82,95)(H,83,93)(H,84,96)(H,90,91)(H,102,103)/t44-,45+,53-,54-,55-,56-,57-,58-,59-,62-,63-,64-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180776
PNG
(CHEMBL2371892 | FVPTDVG-Tic-FAF-Tic)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C75H92N12O16/c1-42(2)62(82-68(95)55(38-61(90)91)80-72(99)64(45(6)88)84-69(96)57-31-20-32-85(57)74(101)63(43(3)4)83-66(93)53(76)33-46-21-10-7-11-22-46)71(98)77-39-60(89)86-40-51-29-18-16-27-49(51)36-58(86)70(97)79-54(34-47-23-12-8-13-24-47)67(94)78-44(5)65(92)81-56(35-48-25-14-9-15-26-48)73(100)87-41-52-30-19-17-28-50(52)37-59(87)75(102)103/h7-19,21-30,42-45,53-59,62-64,88H,20,31-41,76H2,1-6H3,(H,77,98)(H,78,94)(H,79,97)(H,80,99)(H,81,92)(H,82,95)(H,83,93)(H,84,96)(H,90,91)(H,102,103)/t44-,45+,53-,54-,55-,56-,57-,58-,59-,62-,63-,64-/m0/s1
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71n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr10] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50415636
PNG
(CHEMBL1077590)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C44H56N6O8/c1-5-27(4)38(48-39(52)33(46-41(54)37(45)26(2)3)22-29-17-19-32(51)20-18-29)43(56)50-25-31-15-10-9-14-30(31)24-36(50)42(55)49-21-11-16-35(49)40(53)47-34(44(57)58)23-28-12-7-6-8-13-28/h6-10,12-15,17-20,26-27,33-38,51H,5,11,16,21-25,45H2,1-4H3,(H,46,54)(H,47,53)(H,48,52)(H,57,58)/t27-,33-,34-,35-,36-,37-,38-/m0/s1
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219n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human aminopeptidase N transfected in HEK293 cells assessed as formation of p-nitroaniline


J Med Chem 52: 5612-8 (2009)


Article DOI: 10.1021/jm900651p
BindingDB Entry DOI: 10.7270/Q2TB185F
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50415636
PNG
(CHEMBL1077590)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C44H56N6O8/c1-5-27(4)38(48-39(52)33(46-41(54)37(45)26(2)3)22-29-17-19-32(51)20-18-29)43(56)50-25-31-15-10-9-14-30(31)24-36(50)42(55)49-21-11-16-35(49)40(53)47-34(44(57)58)23-28-12-7-6-8-13-28/h6-10,12-15,17-20,26-27,33-38,51H,5,11,16,21-25,45H2,1-4H3,(H,46,54)(H,47,53)(H,48,52)(H,57,58)/t27-,33-,34-,35-,36-,37-,38-/m0/s1
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2.45E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human IRAP transfected in HEK293 cells assessed as formation of p-nitroaniline


J Med Chem 52: 5612-8 (2009)


Article DOI: 10.1021/jm900651p
BindingDB Entry DOI: 10.7270/Q2TB185F
More data for this
Ligand-Target Pair
Human leukocyte antigen DR beta chain


(Homo sapiens (Human))
BDBM50366439
PNG
(CHEMBL1793835)
Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)C1Cc2ccccc2CN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](C)C1CCCCC1)[C@@H](C)O
Show InChI InChI=1S/C42H65N7O9/c1-4-20-44-40(56)37(27(3)50)47-38(54)33-18-12-21-48(33)42(58)32(24-36(52)53)46-39(55)34-23-29-15-8-9-16-30(29)25-49(34)41(57)31(17-10-11-19-43)45-35(51)22-26(2)28-13-6-5-7-14-28/h8-9,15-16,26-28,31-34,37,50H,4-7,10-14,17-25,43H2,1-3H3,(H,44,56)(H,45,51)(H,46,55)(H,47,54)(H,52,53)/t26-,27+,31-,32-,33-,34?,37-/m0/s1
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n/an/a 303n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to compete for binding to Class II MHC using ELISA assay.


Bioorg Med Chem Lett 6: 1931-1936 (1996)


Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31
More data for this
Ligand-Target Pair
Human leukocyte antigen DR beta chain


(Homo sapiens (Human))
BDBM50366439
PNG
(CHEMBL1793835)
Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)C1Cc2ccccc2CN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](C)C1CCCCC1)[C@@H](C)O
Show InChI InChI=1S/C42H65N7O9/c1-4-20-44-40(56)37(27(3)50)47-38(54)33-18-12-21-48(33)42(58)32(24-36(52)53)46-39(55)34-23-29-15-8-9-16-30(29)25-49(34)41(57)31(17-10-11-19-43)45-35(51)22-26(2)28-13-6-5-7-14-28/h8-9,15-16,26-28,31-34,37,50H,4-7,10-14,17-25,43H2,1-3H3,(H,44,56)(H,45,51)(H,46,55)(H,47,54)(H,52,53)/t26-,27+,31-,32-,33-,34?,37-/m0/s1
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n/an/a 178n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to compete for binding to Class II MHC using ELISA assay.


Bioorg Med Chem Lett 6: 1931-1936 (1996)


Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31
More data for this
Ligand-Target Pair