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SMILES: [H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2C(=O)N1Cc2cccc(C(O)=O)c2C1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50609029   
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
Bile acid receptor


(Homo sapiens (Human))		BDBM50609029
PNG
(CHEMBL5276532)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2C(=O)N1Cc2cccc(C(O)=O)c2C1 |r,wD:7.9,1.0,4.4,(-1.09,4.85,;-1.09,3.31,;-1.76,2.18,;-1.09,1,;.24,1,;.24,-.54,;-1.09,.23,;-2.42,1,;-2.42,2.54,;-3.76,.23,;-5.09,1,;-6.43,.23,;-7.81,.85,;-8.84,-.28,;-8.07,-1.62,;-6.58,-1.31,;-5.45,-2.34,;-5.76,-3.82,;-7.2,-4.29,;-4.63,-4.85,;-3.14,-4.39,;-2.83,-2.9,;-3.96,-1.87,;-3.56,-.39,;-8.12,2.39,;-7.66,3.82,;-9.2,3.51,;.24,2.54,;1.58,3.31,;1.58,4.85,;2.91,2.54,;3.07,1.01,;4.58,.69,;5.35,-.65,;6.89,-.65,;7.66,.69,;6.89,2.02,;7.66,3.35,;9.2,3.35,;6.89,4.69,;5.35,2.02,;4.32,3.16,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 13n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair