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SMILES: Cc1ccc2n3C[C@@](CCc3nc2c1)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1cccc(c1)C(O)=O

InChI Key: InChIKey=JKTORCUUFGOASE-MUUNZHRXSA-N

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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 = 405913   
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
Coagulation factor IX


(Homo sapiens (Human))		BDBM405913
PNG
(US10351558, Example 88)
Show SMILES Cc1ccc2n3C[C@@](CCc3nc2c1)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1cccc(c1)C(O)=O |r|
Show InChI InChI=1S/C28H23ClN6O3/c1-17-5-8-24-23(11-17)32-25-9-10-28(14-35(24)25,19-4-2-3-18(12-19)27(37)38)33-26(36)21-7-6-20(13-22(21)29)34-15-30-31-16-34/h2-8,11-13,15-16H,9-10,14H2,1H3,(H,33,36)(H,37,38)/t28-/m1/s1
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PC cid
PC sid
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US Patent
n/an/a 2.86n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
TBD

US Patent US10351558 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GKR
More data for this
Ligand-Target Pair