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BDBM156398 US9018381, 21

SMILES: CCN(CC)C[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1

InChI Key: InChIKey=XCVUZMZRKUHGPU-HUANSRBPSA-N

Data: 2 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 2 hits for monomerid = 156398   
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


(Homo sapiens (human))
BDBM156398
PNG
(US9018381, 21)
Show SMILES CCN(CC)C[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C51H59ClF3N5O7S3/c1-3-58(4-2)33-42-34-67-31-30-60(42)29-26-40(35-68-43-10-6-5-7-11-43)56-47-23-22-44(32-48(47)69(63,64)51(53,54)55)70(65,66)57-50(62)38-16-20-41(21-17-38)59-27-24-37(25-28-59)49(61)46-13-9-8-12-45(46)36-14-18-39(52)19-15-36/h5-23,32,37,40,42,49,56,61H,3-4,24-31,33-35H2,1-2H3,(H,57,62)/t40-,42-,49-/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 0.300n/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
Bcl-2-like protein 1


(Homo sapiens)
BDBM156398
PNG
(US9018381, 21)
Show SMILES CCN(CC)C[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C51H59ClF3N5O7S3/c1-3-58(4-2)33-42-34-67-31-30-60(42)29-26-40(35-68-43-10-6-5-7-11-43)56-47-23-22-44(32-48(47)69(63,64)51(53,54)55)70(65,66)57-50(62)38-16-20-41(21-17-38)59-27-24-37(25-28-59)49(61)46-13-9-8-12-45(46)36-14-18-39(52)19-15-36/h5-23,32,37,40,42,49,56,61H,3-4,24-31,33-35H2,1-2H3,(H,57,62)/t40-,42-,49-/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 0.5n/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