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BDBM14123 (2S)-N-[5-carbamimidamido-1-(6-methoxy-1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide::2-ketobenzothiazole 63

SMILES: [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(-[#8]-[#6])cc2s1

InChI Key: InChIKey=AWDHQUNSUCYGTH-NRSZHQCHSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 14123   
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))
BDBM14123
PNG
((2S)-N-[5-carbamimidamido-1-(6-methoxy-1,3-benzoth...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccc(OC)cc2s1
Show InChI InChI=1S/C29H37N7O4S/c1-32-22(16-18-8-4-3-5-9-18)28(39)36-15-7-11-23(36)26(38)34-21(10-6-14-33-29(30)31)25(37)27-35-20-13-12-19(40-2)17-24(20)41-27/h3-5,8-9,12-13,17,21-23,32H,6-7,10-11,14-16H2,1-2H3,(H,34,38)(H4,30,31,33)/t21?,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.140n/a 5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14123
PNG
((2S)-N-[5-carbamimidamido-1-(6-methoxy-1,3-benzoth...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccc(OC)cc2s1
Show InChI InChI=1S/C29H37N7O4S/c1-32-22(16-18-8-4-3-5-9-18)28(39)36-15-7-11-23(36)26(38)34-21(10-6-14-33-29(30)31)25(37)27-35-20-13-12-19(40-2)17-24(20)41-27/h3-5,8-9,12-13,17,21-23,32H,6-7,10-11,14-16H2,1-2H3,(H,34,38)(H4,30,31,33)/t21?,22-,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair