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7 similar compounds to monomer 50029192

Compile data set for download or QSAR
Wt: 1292.7
BDBM50029190
Wt: 1278.7
BDBM50029194
Wt: 1306.7
BDBM50119402
Wt: 1250.6
BDBM50119408
Wt: 1250.6
BDBM50026908
Wt: 895.1
BDBM50370636
Wt: 676.8
BDBM50009473

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50029190,50029194,50119402,50119408,50026908,50370636,50009473   
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
FK506-binding protein 1B


(Homo sapiens (Human))
BDBM50029190
PNG
(15-Benzyl-30-ethyl-33-(1-hydroxy-2-methyl-hex-4-en...)
Show SMILES CC[C@@H]1NC(=O)[C@H](C(O)C(C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C69H117N11O12/c1-25-27-31-45(15)58(81)57-62(85)71-49(26-2)65(88)74(18)47(17)64(87)75(19)52(35-40(5)6)61(84)73-55(43(11)12)68(91)76(20)51(34-39(3)4)60(83)72-50(38-48-32-29-28-30-33-48)59(82)70-46(16)63(86)77(21)53(36-41(7)8)66(89)78(22)54(37-42(9)10)67(90)79(23)56(44(13)14)69(92)80(57)24/h25,27-30,32-33,39-47,49-58,81H,26,31,34-38H2,1-24H3,(H,70,82)(H,71,85)(H,72,83)(H,73,84)/b27-25+/t45?,46-,47-,49+,50-,51-,52+,53-,54+,55+,56-,57+,58?/m1/s1
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6n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Peptidyl-propyl isomerase (PPIase).


J Med Chem 38: 4164-70 (1995)


Article DOI: 10.1021/jm00021a005
BindingDB Entry DOI: 10.7270/Q2X34WGK
More data for this
Ligand-Target Pair
FK506-binding protein 1B


(Homo sapiens (Human))
BDBM50029194
PNG
(15-Benzyl-30-ethyl-33-(1-hydroxy-2-methyl-hex-4-en...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)C(C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C68H115N11O12/c1-24-26-30-45(15)58(81)57-62(85)70-48(25-2)64(87)73(17)38-54(80)74(18)50(33-39(3)4)61(84)72-55(43(11)12)67(90)75(19)51(34-40(5)6)60(83)71-49(37-47-31-28-27-29-32-47)59(82)69-46(16)63(86)76(20)52(35-41(7)8)65(88)77(21)53(36-42(9)10)66(89)78(22)56(44(13)14)68(91)79(57)23/h24,26-29,31-32,39-46,48-53,55-58,81H,25,30,33-38H2,1-23H3,(H,69,82)(H,70,85)(H,71,83)(H,72,84)/b26-24+/t45?,46-,48+,49-,50+,51-,52-,53+,55+,56-,57+,58-/m1/s1
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33n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Peptidyl-propyl isomerase (PPIase).


J Med Chem 38: 4164-70 (1995)


Article DOI: 10.1021/jm00021a005
BindingDB Entry DOI: 10.7270/Q2X34WGK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50370636
PNG
(CHEMBL1791327)
Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC(CO)C(N)=O
Show InChI InChI=1S/C48H74N6O10/c1-5-33(2)42(46(61)52-39(32-55)44(49)59)53-47(62)43(34(3)56)54(4)41(58)29-23-15-13-11-9-7-6-8-10-12-14-22-28-40(57)50-37(30-35-24-18-16-19-25-35)45(60)51-38(48(63)64)31-36-26-20-17-21-27-36/h16-21,24-27,33-34,37-39,42-43,55-56H,5-15,22-23,28-32H2,1-4H3,(H2,49,59)(H,50,57)(H,51,60)(H,52,61)(H,53,62)(H,63,64)/t33-,34-,37+,38-,39?,42+,43-/m0/s1
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112n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immunodeficiency virus -1 protease


J Med Chem 48: 2239-42 (2005)


Article DOI: 10.1021/jm049581j
BindingDB Entry DOI: 10.7270/Q2H70GK3
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50119408
PNG
(24-Benzyl-30-ethyl-33-(1-hydroxy-2-methyl-hept-4-e...)
Show SMILES CC\C=C\C[C@@H](C)[C@@H](O)C1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)C(C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)C(Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C(CC)NC1=O)C(C)C
Show InChI InChI=1S/C66H111N11O12/c1-23-25-27-30-43(13)56(79)55-60(83)69-47(24-2)62(85)71(16)37-52(78)72(17)49(36-46-31-28-26-29-32-46)59(82)70-53(41(9)10)65(88)73(18)48(33-38(3)4)58(81)67-44(14)57(80)68-45(15)61(84)74(19)50(34-39(5)6)63(86)75(20)51(35-40(7)8)64(87)76(21)54(42(11)12)66(89)77(55)22/h25-29,31-32,38-45,47-51,53-56,79H,23-24,30,33-37H2,1-22H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b27-25+/t43-,44?,45-,47?,48-,49?,50+,51+,53-,54+,55?,56-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Strasbourg 1 University

Curated by ChEMBL


Assay Description
Inhibitory activity against Human MDR1 P-Glycoprotein ABC Transporter using leukemia CEM cells


J Med Chem 45: 4598-612 (2002)


Article DOI: 10.1021/jm0109863
BindingDB Entry DOI: 10.7270/Q29024HJ
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50119402
PNG
(27-Benzyl-30-ethyl-33-(1-hydroxy-2-methyl-hept-4-e...)
Show SMILES CC\C=C\C[C@@H](C)[C@@H](O)C1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)C(C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(CC)NC1=O)C(C)C
Show InChI InChI=1S/C70H119N11O12/c1-25-27-29-32-46(15)59(82)58-63(86)73-50(26-2)65(88)78(21)55(39-49-33-30-28-31-34-49)67(90)75(18)52(36-41(5)6)62(85)74-56(44(11)12)69(92)76(19)51(35-40(3)4)61(84)71-47(16)60(83)72-48(17)64(87)77(20)53(37-42(7)8)66(89)79(22)54(38-43(9)10)68(91)80(23)57(45(13)14)70(93)81(58)24/h27-31,33-34,40-48,50-59,82H,25-26,32,35-39H2,1-24H3,(H,71,84)(H,72,83)(H,73,86)(H,74,85)/b29-27+/t46-,47?,48-,50?,51-,52-,53+,54+,55+,56-,57+,58?,59-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Strasbourg 1 University

Curated by ChEMBL


Assay Description
Inhibitory activity against Human MDR1 P-Glycoprotein ABC Transporter using leukemia CEM cells


J Med Chem 45: 4598-612 (2002)


Article DOI: 10.1021/jm0109863
BindingDB Entry DOI: 10.7270/Q29024HJ
More data for this
Ligand-Target Pair
Chromobox protein homolog 7 (CBX7)


(Homo sapiens (Human))
BDBM50009473
PNG
(CHEMBL3234155)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C34H57N7O7/c1-21(2)18-26(32(46)37-25(16-12-13-17-41(6,7)8)31(45)39-28(20-42)30(35)44)38-34(48)29(22(3)4)40-33(47)27(36-23(5)43)19-24-14-10-9-11-15-24/h9-11,14-15,21-22,25-29,42H,12-13,16-20H2,1-8H3,(H6-,35,36,37,38,39,40,43,44,45,46,47,48)/p+1/t25-,26-,27-,28-,29-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50026908
PNG
(CHEMBL2372484)
Show SMILES CC\C=C\C[C@@H](C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C
Show InChI InChI=1S/C66H111N11O12/c1-23-25-27-30-43(13)56(79)55-60(83)69-47(24-2)62(85)71(16)37-52(78)72(17)49(36-46-31-28-26-29-32-46)59(82)70-53(41(9)10)65(88)73(18)48(33-38(3)4)58(81)67-44(14)57(80)68-45(15)61(84)74(19)50(34-39(5)6)63(86)75(20)51(35-40(7)8)64(87)76(21)54(42(11)12)66(89)77(55)22/h25-29,31-32,38-45,47-51,53-56,79H,23-24,30,33-37H2,1-22H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b27-25+/t43-,44+,45-,47+,48-,49+,50+,51+,53-,54+,55+,56-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Strasbourg 1 University

Curated by ChEMBL


Assay Description
Inhibitory activity against human formylpeptide receptor (FPR) of human leukemia HL-60 cells


J Med Chem 45: 4613-28 (2002)


Article DOI: 10.1021/jm010987v
BindingDB Entry DOI: 10.7270/Q2571CQX
More data for this
Ligand-Target Pair