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BDBM59170 BT2

SMILES: COC(=O)[C@@H](CC(=O)Cc1ccc(\C=C\c2ccc(CC(=O)C[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC)cc2)cc1)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=RWDJGHIILMLRQC-XPENLDFNSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 59170   
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
Calmodulin


(Homo sapiens (Human))		BDBM59170
PNG
(BT2)
Show SMILES COC(=O)[C@@H](CC(=O)Cc1ccc(\C=C\c2ccc(CC(=O)C[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC)cc2)cc1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C44H42N2O6/c1-51-43(49)33(23-35-27-45-41-9-5-3-7-39(35)41)25-37(47)21-31-17-13-29(14-18-31)11-12-30-15-19-32(20-16-30)22-38(48)26-34(44(50)52-2)24-36-28-46-42-10-6-4-8-40(36)42/h3-20,27-28,33-34,45-46H,21-26H2,1-2H3/b12-11+/t33-,34-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 9.00E+3n/an/an/an/an/a



University of Sheffield



Assay Description
Experiments were conducted with HITACHI-4500 and Shimadzu RF-5301 fluorescence spectrophotometer.

Chem Biol 12: 89-97 (2005)


Article DOI: 10.1016/j.chembiol.2004.11.007
BindingDB Entry DOI: 10.7270/Q22B8WGR
More data for this
Ligand-Target Pair