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SMILES: CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCOCC2)C1)-c1cccc(Cl)c1

InChI Key: InChIKey=SZMLFJPWQVBBLF-UHGJSFDGSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 316344   
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
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM316344
PNG
(US9617226, Example 25 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCOCC2)C1)-c1cccc(Cl)c1 |r,wD:18.19,20.22,(,-7.7,;-1.33,-6.93,;-2.67,-7.7,;-1.33,-5.39,;,-4.62,;1.33,-5.39,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;8,-3.08,;9.49,-2.68,;9.89,-4.17,;11.22,-4.94,;11.22,-6.48,;9.83,-7.15,;9.49,-8.65,;10.45,-9.85,;11.99,-9.85,;12.95,-8.65,;12.61,-7.15,;8.4,-4.57,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,)|
Show InChI InChI=1S/C29H35ClN4O3/c1-19(2)31-27(35)18-34-28(22-5-3-6-24(30)15-22)32-26-8-7-21(16-25(26)29(34)36)23-13-20(14-23)17-33-9-4-11-37-12-10-33/h3,5-8,15-16,19-20,23H,4,9-14,17-18H2,1-2H3,(H,31,35)/t20-,23+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 5.5n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...

US Patent US9617226 (2017)


BindingDB Entry DOI: 10.7270/Q2639RTS
More data for this
Ligand-Target Pair