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BDBM156400 US9018381, 23::US9248140, 23

SMILES: OC[C@@H]1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1

InChI Key: InChIKey=UNIDPFJTIWEYGM-SQKNJAOPSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 156400   
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
Bcl-2-like protein 1


(Homo sapiens)
BDBM156400
PNG
(US9018381, 23 | US9248140, 23)
Show SMILES OC[C@@H]1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1
Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-24-55(25-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-23-54-26-27-63-38(29-54)30-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38+,45-/m1/s1
PDB
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PC cid
PC sid
UniChem

Similars

n/an/a 1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156400
PNG
(US9018381, 23 | US9248140, 23)
Show SMILES OC[C@@H]1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1
Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-24-55(25-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-23-54-26-27-63-38(29-54)30-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38+,45-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of kno...


US Patent US9248140 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K34
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Homo sapiens (Human))
BDBM156400
PNG
(US9018381, 23 | US9248140, 23)
Show SMILES OC[C@@H]1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1
Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-24-55(25-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-23-54-26-27-63-38(29-54)30-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38+,45-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of kno...


US Patent US9248140 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K34
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM156400
PNG
(US9018381, 23 | US9248140, 23)
Show SMILES OC[C@@H]1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1
Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-24-55(25-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-23-54-26-27-63-38(29-54)30-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38+,45-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair