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SMILES: Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 485273   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485273
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*S)-(2-meth...)
Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.48,2.9,;-1.82,2.13,;-3.15,2.9,;-4.48,2.13,;-5.82,2.9,;-7.15,2.13,;-8.49,2.9,;-9.82,2.13,;-9.82,.59,;-8.49,-.18,;-7.15,.59,;-4.48,.59,;-3.15,-.18,;-1.82,.59,;-.48,-.18,;-.48,-1.72,;-1.82,-2.49,;-1.82,-4.03,;-.48,-4.8,;.85,-4.03,;2.3,-4.48,;3,-3,;4.54,-3,;5.31,-4.33,;5.31,-1.66,;6.85,-1.66,;7.76,-2.91,;9.22,-2.43,;9.22,-.89,;7.76,-.42,;7.28,1.05,;8.31,2.19,;9.82,1.87,;7.84,3.66,;8.87,4.8,;2.18,-1.72,;2.18,-.18,;.85,.59,;.85,2.13,;.85,-2.49,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
15n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485273
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*S)-(2-meth...)
Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.48,2.9,;-1.82,2.13,;-3.15,2.9,;-4.48,2.13,;-5.82,2.9,;-7.15,2.13,;-8.49,2.9,;-9.82,2.13,;-9.82,.59,;-8.49,-.18,;-7.15,.59,;-4.48,.59,;-3.15,-.18,;-1.82,.59,;-.48,-.18,;-.48,-1.72,;-1.82,-2.49,;-1.82,-4.03,;-.48,-4.8,;.85,-4.03,;2.3,-4.48,;3,-3,;4.54,-3,;5.31,-4.33,;5.31,-1.66,;6.85,-1.66,;7.76,-2.91,;9.22,-2.43,;9.22,-.89,;7.76,-.42,;7.28,1.05,;8.31,2.19,;9.82,1.87,;7.84,3.66,;8.87,4.8,;2.18,-1.72,;2.18,-.18,;.85,.59,;.85,2.13,;.85,-2.49,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem
n/an/a 5.62n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM485273
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*S)-(2-meth...)
Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.48,2.9,;-1.82,2.13,;-3.15,2.9,;-4.48,2.13,;-5.82,2.9,;-7.15,2.13,;-8.49,2.9,;-9.82,2.13,;-9.82,.59,;-8.49,-.18,;-7.15,.59,;-4.48,.59,;-3.15,-.18,;-1.82,.59,;-.48,-.18,;-.48,-1.72,;-1.82,-2.49,;-1.82,-4.03,;-.48,-4.8,;.85,-4.03,;2.3,-4.48,;3,-3,;4.54,-3,;5.31,-4.33,;5.31,-1.66,;6.85,-1.66,;7.76,-2.91,;9.22,-2.43,;9.22,-.89,;7.76,-.42,;7.28,1.05,;8.31,2.19,;9.82,1.87,;7.84,3.66,;8.87,4.8,;2.18,-1.72,;2.18,-.18,;.85,.59,;.85,2.13,;.85,-2.49,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM485273
PNG
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*S)-(2-meth...)
Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.48,2.9,;-1.82,2.13,;-3.15,2.9,;-4.48,2.13,;-5.82,2.9,;-7.15,2.13,;-8.49,2.9,;-9.82,2.13,;-9.82,.59,;-8.49,-.18,;-7.15,.59,;-4.48,.59,;-3.15,-.18,;-1.82,.59,;-.48,-.18,;-.48,-1.72,;-1.82,-2.49,;-1.82,-4.03,;-.48,-4.8,;.85,-4.03,;2.3,-4.48,;3,-3,;4.54,-3,;5.31,-4.33,;5.31,-1.66,;6.85,-1.66,;7.76,-2.91,;9.22,-2.43,;9.22,-.89,;7.76,-.42,;7.28,1.05,;8.31,2.19,;9.82,1.87,;7.84,3.66,;8.87,4.8,;2.18,-1.72,;2.18,-.18,;.85,.59,;.85,2.13,;.85,-2.49,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.62n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...


US Patent US10934310 (2021)

More data for this
Ligand-Target Pair