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3 similar compounds to monomer 178877

Compile data set for download or QSAR
Wt: 893.8
BDBM178891
Wt: 883.9
BDBM178876
Wt: 876.8
BDBM178841

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 178891,178876,178841   
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
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178876
PNG
(US9125913, 448)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NC4CCN(CC4)C4CC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52Cl2N8O4S/c1-46(2)17-14-31(38(26-46)30-6-8-32(47)9-7-30)29-54-20-22-56(23-21-54)35-12-13-37(43(24-35)60-42-5-3-4-41-39(42)28-50-52-41)45(57)53-61(58,59)36-25-40(48)44(49-27-36)51-33-15-18-55(19-16-33)34-10-11-34/h3-9,12-13,24-25,27-28,33-34H,10-11,14-23,26,29H2,1-2H3,(H,49,51)(H,50,52)(H,53,57)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.00500n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178891
PNG
(US9125913, 463)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCC(F)(F)CC4)c(Cl)c3)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48Cl2F2N6O5S/c1-44(2)15-14-31(36(24-44)30-6-8-32(46)9-7-30)26-54-18-20-55(21-19-54)33-10-11-35(40(22-33)60-39-5-3-4-38-41(39)52-28-51-38)42(56)53-61(57,58)34-23-37(47)43(50-25-34)59-27-29-12-16-45(48,49)17-13-29/h3-11,22-23,25,28-29H,12-21,24,26-27H2,1-2H3,(H,51,52)(H,53,56)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.00700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178841
PNG
(US9125913, 413)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H48Cl2FN7O5S/c1-43(2)13-12-30(35(24-43)29-6-8-31(45)9-7-29)27-53-16-18-54(19-17-53)32-10-11-34(40(22-32)59-39-5-3-4-38-36(39)26-50-51-38)42(55)52-60(56,57)33-23-37(46)41(48-25-33)49-28-44(47)14-20-58-21-15-44/h3-11,22-23,25-26H,12-21,24,27-28H2,1-2H3,(H,48,49)(H,50,51)(H,52,55)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.120n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178876
PNG
(US9125913, 448)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NC4CCN(CC4)C4CC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52Cl2N8O4S/c1-46(2)17-14-31(38(26-46)30-6-8-32(47)9-7-30)29-54-20-22-56(23-21-54)35-12-13-37(43(24-35)60-42-5-3-4-41-39(42)28-50-52-41)45(57)53-61(58,59)36-25-40(48)44(49-27-36)51-33-15-18-55(19-16-33)34-10-11-34/h3-9,12-13,24-25,27-28,33-34H,10-11,14-23,26,29H2,1-2H3,(H,49,51)(H,50,52)(H,53,57)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
14.6n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178891
PNG
(US9125913, 463)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCC(F)(F)CC4)c(Cl)c3)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48Cl2F2N6O5S/c1-44(2)15-14-31(36(24-44)30-6-8-32(46)9-7-30)26-54-18-20-55(21-19-54)33-10-11-35(40(22-33)60-39-5-3-4-38-41(39)52-28-51-38)42(56)53-61(57,58)34-23-37(47)43(50-25-34)59-27-29-12-16-45(48,49)17-13-29/h3-11,22-23,25,28-29H,12-21,24,26-27H2,1-2H3,(H,51,52)(H,53,56)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
43.9n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178841
PNG
(US9125913, 413)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H48Cl2FN7O5S/c1-43(2)13-12-30(35(24-43)29-6-8-31(45)9-7-29)27-53-16-18-54(19-17-53)32-10-11-34(40(22-32)59-39-5-3-4-38-36(39)26-50-51-38)42(55)52-60(56,57)33-23-37(46)41(48-25-33)49-28-44(47)14-20-58-21-15-44/h3-11,22-23,25-26H,12-21,24,27-28H2,1-2H3,(H,48,49)(H,50,51)(H,52,55)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
96.8n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair