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SMILES: OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)[C@H]2C[C@H](O)C2)c2cccn2n1

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 = 604816   
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
Activin receptor type-1


(Homo sapiens (Human))		BDBM604816
PNG
((trans)-3-(4-((2-((S)-2-(hydroxymethyl)pyrrolidin-...)
Show SMILES OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)[C@H]2C[C@H](O)C2)c2cccn2n1 |wU:18.20,2.1,wD:16.17,(-2.43,-4.43,;-.96,-4.9,;.18,-3.87,;1.69,-4.19,;2.46,-2.86,;1.43,-1.71,;.02,-2.34,;-1.31,-1.57,;-1.31,-.03,;-2.65,.74,;-2.65,2.28,;-1.31,3.05,;.09,2.42,;1.12,3.57,;.35,4.9,;-1.15,4.58,;2.65,3.41,;3.62,2.21,;4.82,3.18,;6.35,3.02,;3.85,4.38,;-3.98,-.03,;-5.45,.45,;-6.35,-.8,;-5.45,-2.05,;-3.98,-1.57,;-2.65,-2.34,)|
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q251435H
More data for this
Ligand-Target Pair