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BDBM50142094 2'-[1,4]Diazepan-1-yl-biphenyl-4-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-phenyl]-amide::CHEMBL368544

SMILES: Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2ccccc2N2CCCNCC2)nc1

InChI Key: InChIKey=QAOJXMKGOCECEF-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50142094   
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))
BDBM50142094
PNG
(2'-[1,4]Diazepan-1-yl-biphenyl-4-carboxylic acid [...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2ccccc2N2CCCNCC2)nc1
Show InChI InChI=1S/C30H27Cl2N5O2/c31-22-10-12-26(25(18-22)30(39)36-28-13-11-23(32)19-34-28)35-29(38)21-8-6-20(7-9-21)24-4-1-2-5-27(24)37-16-3-14-33-15-17-37/h1-2,4-13,18-19,33H,3,14-17H2,(H,35,38)(H,34,36,39)
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PC cid
PC sid
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Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142094
PNG
(2'-[1,4]Diazepan-1-yl-biphenyl-4-carboxylic acid [...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2ccccc2N2CCCNCC2)nc1
Show InChI InChI=1S/C30H27Cl2N5O2/c31-22-10-12-26(25(18-22)30(39)36-28-13-11-23(32)19-34-28)35-29(38)21-8-6-20(7-9-21)24-4-1-2-5-27(24)37-16-3-14-33-15-17-37/h1-2,4-13,18-19,33H,3,14-17H2,(H,35,38)(H,34,36,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair