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BDBM50088946 3-{1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-1H-benzoimidazol-2-yl}-propionic acid::CHEMBL369159

SMILES: CC(=N)N1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(CCC(O)=O)nc2c1

InChI Key: InChIKey=RGTGCSLUNYBBSA-UHFFFAOYSA-N

Data: 3 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50088946   
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 X


(Homo sapiens (Human))
BDBM50088946
PNG
(3-{1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-5-[1-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(CCC(O)=O)nc2c1
Show InChI InChI=1S/C29H32N6O3/c1-18(30)34-12-10-23(11-13-34)38-24-6-7-26-25(16-24)33-27(8-9-28(36)37)35(26)17-19-2-3-20-4-5-21(29(31)32)15-22(20)14-19/h2-7,14-16,23,30H,8-13,17H2,1H3,(H3,31,32)(H,36,37)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
5.90n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50088946
PNG
(3-{1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-5-[1-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(CCC(O)=O)nc2c1
Show InChI InChI=1S/C29H32N6O3/c1-18(30)34-12-10-23(11-13-34)38-24-6-7-26-25(16-24)33-27(8-9-28(36)37)35(26)17-19-2-3-20-4-5-21(29(31)32)15-22(20)14-19/h2-7,14-16,23,30H,8-13,17H2,1H3,(H3,31,32)(H,36,37)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine cationic trypsin


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50088946
PNG
(3-{1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-5-[1-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(CCC(O)=O)nc2c1
Show InChI InChI=1S/C29H32N6O3/c1-18(30)34-12-10-23(11-13-34)38-24-6-7-26-25(16-24)33-27(8-9-28(36)37)35(26)17-19-2-3-20-4-5-21(29(31)32)15-22(20)14-19/h2-7,14-16,23,30H,8-13,17H2,1H3,(H3,31,32)(H,36,37)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human coagulation factor II


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair