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BDBM50289584 3-Nitro-biphenyl-4-carboxylic acid [(R)-4-guanidino-1-((2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-butyl]-amide::CHEMBL297535

SMILES: CC1(C)C2CC1C1(C)OB(OC1C2)C(CCC[N-]C(N)=[NH2+])NC(=O)c1ccc(cc1[N+]([O-])=O)-c1ccccc1

InChI Key: InChIKey=DNGKNMYMFORGCB-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50289584   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50289584
PNG
(3-Nitro-biphenyl-4-carboxylic acid [(R)-4-guanidin...)
Show SMILES CC1(C)C2CC1C1(C)OB(OC1C2)C(CCC[N-]C(N)=[NH2+])NC(=O)c1ccc(cc1[N+]([O-])=O)-c1ccccc1 |THB:8:6:1:4|
Show InChI InChI=1S/C28H36BN5O5/c1-27(2)19-15-22(27)28(3)23(16-19)38-29(39-28)24(10-7-13-32-26(30)31)33-25(35)20-12-11-18(14-21(20)34(36)37)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,19,22-24H,7,10,13,15-16H2,1-3H3,(H5,30,31,32,33,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
4.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 1595-1600 (1997)


Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ
More data for this
Ligand-Target Pair