BDBM50038001 (2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid::(2R,4R)-1-[(S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid::(2R,4S)-1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid::(2S,4S)-1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid::(S)-1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid::1-[(2R,3S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid::1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid::1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid (Argatroban)::ARGATROBAN::CHEMBL1166::DK-7419::GN-1600::MCI-9038::MD-805

SMILES C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12

InChI Key InChIKey=KXNPVXPOPUZYGB-IOVMHBDKSA-N

Data  15 KI  15 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50038001   

TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  4nMAssay Description:In vitro inhibition constant (Ki) against human thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Bos taurus (Bovine))
Klinikum Der Friedrich-Schiller-Universit£T Jena

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  9.60nMAssay Description:Inhibitory activity against thrombin.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  10nMAssay Description:Inhibition of human alpha-thrombin.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  19nMAssay Description:Inhibitory activity against human thrombin (using Chromozym TH as the substrate)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  19nMAssay Description:Inhibitory activity against thrombin.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Bos taurus (Bovine))
Klinikum Der Friedrich-Schiller-Universit£T Jena

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  20nMAssay Description:Inhibition of bovine plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  20nMAssay Description:In vitro binding affinity by measuring the inhibition of human thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  39nMAssay Description:Inhibition against clot-associated thrombin.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  40nMAssay Description:Inhibition of human plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Bos taurus (Bovine))
Klinikum Der Friedrich-Schiller-Universit£T Jena

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  61nMAssay Description:Inhibitory activity against bovine thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Bos taurus (Bovine))
Klinikum Der Friedrich-Schiller-Universit£T Jena

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  61nMAssay Description:Inhibitory activity against bovine thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  2.90E+3nMAssay Description:Inhibition of bovine trypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  5.30E+4nMAssay Description:Inhibition of human factor 10aMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTissue-type plasminogen activator(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  8.78E+4nMAssay Description:Inhibition of human t-PAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasminogen(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataKi:  2.57E+5nMAssay Description:Inhibition of human plasminMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataIC50:  38nMAssay Description:In vitro inhibitory activity against hydrolysis of human alpha thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataIC50:  38nMAssay Description:In vitro inhibition of thrombin catalytic activity using s-2238 substrate at 10 uM was measured at rat after 3 min incubation with compoundMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataIC50:  600nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCoagulation factor X(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataIC50:  1.34E+5nMAssay Description:Inhibitory activity against Coagulation factor XMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataIC50:  550nMAssay Description:Inhibitory activity against thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataIC50:  5.00E+3nMAssay Description:In vitro ability to inhibit the activity of TrypsinMore data for this Ligand-Target Pair
In DepthDetails Article
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataIC50:  39nMAssay Description:In vitro ability to inhibit the activity of human alpha ThrombinMore data for this Ligand-Target Pair
In DepthDetails Article
TargetPlasminogen(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataIC50:  8.00E+5nMAssay Description:In vitro ability to inhibit the activity of PlasminMore data for this Ligand-Target Pair
In DepthDetails Article
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataIC50:  3.90nMAssay Description:Inhibition of human thrombin using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins by spectrophotometer anal...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataIC50:  5.40nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataIC50:  331nMAssay Description:Inhibitory activity against human thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataIC50:  12nMAssay Description:Inhibition of human thrombin assessed as reduction in release of free nitroaniline using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataIC50:  9.5nMAssay Description:Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataIC50:  9.5nMAssay Description:Inhibition of thrombin in human blood using fluorogenic Ac-FVR-AMC as substrate incubated for 10 mins by fluorescence based microplate reader methodMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProthrombin(Homo sapiens (Human))
Lg Life Sciences

Curated by ChEMBL
LigandPNGBDBM50038001((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Affinity DataIC50:  52nMAssay Description:Inhibitory activity against thrombin induced platelet aggregationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed