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5 similar compounds to monomer 50093815

Compile data set for download or QSAR
Wt: 1030.2
BDBM50095336
Wt: 1026.0
BDBM50093807
Wt: 881.9
BDBM50093808
Wt: 998.0
BDBM50093810
Wt: 994.1
BDBM50093811

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50095336,50093807,50093808,50093810,50093811   
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
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50095336
PNG
(2-(5-{1-[3-(1-carboxy-3-methylsulfanylpropylcarbam...)
Show SMILES CSCC[C@H](NC(=O)c1cc(cc(Cl)c1O)C(=CCC[C@H]1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H](C(C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1)c1cc(Cl)c(O)c(c1)C(=O)N[C@@H](CCSC)C(O)=O)C(O)=O
Show InChI InChI=1S/C55H78Cl2N2O8S2/c1-31(2)10-8-11-32(3)41-16-17-42-38-15-14-36-26-33(18-22-54(36,4)43(38)19-23-55(41,42)5)12-9-13-37(34-27-39(48(60)44(56)29-34)50(62)58-46(52(64)65)20-24-68-6)35-28-40(49(61)45(57)30-35)51(63)59-47(53(66)67)21-25-69-7/h13,27-33,36,38,41-43,46-47,60-61H,8-12,14-26H2,1-7H3,(H,58,62)(H,59,63)(H,64,65)(H,66,67)/t32?,33-,36?,38-,41+,42-,43-,46-,47-,54-,55+/m0/s1
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n/an/a 1.27E+4n/an/an/an/an/an/a



National Cancer Istitute-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Inhibition of RANTES-induced migration of human embryonic kidney (CCR1/HEK) cell transfectants


Bioorg Med Chem Lett 11: 59-62 (2001)


Article DOI: 10.1016/s0960-894x(00)00601-6
BindingDB Entry DOI: 10.7270/Q2XW4J3F
More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens (Human))
BDBM50093811
PNG
((S)-2-(5-{1-[3-((S)-1-Carboxy-3-methyl-butylcarbam...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](CC(C)C)C(O)=O)c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](CC(C)C)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C57H82Cl2N2O8/c1-31(2)12-10-13-34(7)43-18-19-44-40-17-16-38-26-35(20-22-56(38,8)45(40)21-23-57(43,44)9)14-11-15-39(36-27-41(50(62)46(58)29-36)52(64)60-48(54(66)67)24-32(3)4)37-28-42(51(63)47(59)30-37)53(65)61-49(55(68)69)25-33(5)6/h15,27-35,38,40,43-45,48-49,62-63H,10-14,16-26H2,1-9H3,(H,60,64)(H,61,65)(H,66,67)(H,68,69)/t34?,35-,38?,40?,43+,44?,45?,48-,49-,56-,57+/m0/s1
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n/an/an/an/a>1.25E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)


Article DOI: 10.1021/jm000290u
BindingDB Entry DOI: 10.7270/Q2TX3GKX
More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens (Human))
BDBM50093807
PNG
((S)-2-(3-Chloro-5-{1-[3-chloro-5-((S)-1,3-dicarbox...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C55H74Cl2N2O12/c1-29(2)8-6-9-30(3)39-14-15-40-36-13-12-34-24-31(20-22-54(34,4)41(36)21-23-55(39,40)5)10-7-11-35(32-25-37(48(64)42(56)27-32)50(66)58-44(52(68)69)16-18-46(60)61)33-26-38(49(65)43(57)28-33)51(67)59-45(53(70)71)17-19-47(62)63/h11,25-31,34,36,39-41,44-45,64-65H,6-10,12-24H2,1-5H3,(H,58,66)(H,59,67)(H,60,61)(H,62,63)(H,68,69)(H,70,71)/t30?,31-,34?,36?,39+,40?,41?,44-,45-,54-,55+/m0/s1
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n/an/an/an/a 6.96E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)


Article DOI: 10.1021/jm000290u
BindingDB Entry DOI: 10.7270/Q2TX3GKX
More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens (Human))
BDBM50093808
PNG
((5-{1-[3-(Carboxymethyl-carbamoyl)-5-chloro-4-hydr...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(c5)C(=O)NCC(O)=O)c5cc(Cl)c(O)c(c5)C(=O)NCC(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C49H66Cl2N2O8/c1-27(2)8-6-9-28(3)37-14-15-38-34-13-12-32-20-29(16-18-48(32,4)39(34)17-19-49(37,38)5)10-7-11-33(30-21-35(44(58)40(50)23-30)46(60)52-25-42(54)55)31-22-36(45(59)41(51)24-31)47(61)53-26-43(56)57/h11,21-24,27-29,32,34,37-39,58-59H,6-10,12-20,25-26H2,1-5H3,(H,52,60)(H,53,61)(H,54,55)(H,56,57)/t28?,29-,32?,34?,37+,38?,39?,48-,49+/m0/s1
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n/an/an/an/a>1.25E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)


Article DOI: 10.1021/jm000290u
BindingDB Entry DOI: 10.7270/Q2TX3GKX
More data for this
Ligand-Target Pair
T-cell surface antigen CD4


(Homo sapiens (Human))
BDBM50093810
PNG
((S)-2-(3-Chloro-5-{1-[3-chloro-5-((S)-1,2-dicarbox...)
Show SMILES CC(C)CCCC(C)[C@H]1CCC2C3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](CC(O)=O)C(O)=O)c5cc(Cl)c(O)c(c5)C(=O)N[C@@H](CC(O)=O)C(O)=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C53H70Cl2N2O12/c1-27(2)8-6-9-28(3)37-14-15-38-34-13-12-32-20-29(16-18-52(32,4)39(34)17-19-53(37,38)5)10-7-11-33(30-21-35(46(62)40(54)23-30)48(64)56-42(50(66)67)25-44(58)59)31-22-36(47(63)41(55)24-31)49(65)57-43(51(68)69)26-45(60)61/h11,21-24,27-29,32,34,37-39,42-43,62-63H,6-10,12-20,25-26H2,1-5H3,(H,56,64)(H,57,65)(H,58,59)(H,60,61)(H,66,67)(H,68,69)/t28?,29-,32?,34?,37+,38?,39?,42-,43-,52-,53+/m0/s1
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n/an/an/an/a 1.22E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)


Article DOI: 10.1021/jm000290u
BindingDB Entry DOI: 10.7270/Q2TX3GKX
More data for this
Ligand-Target Pair