BDBM50112086 3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid::CHEMBL48361::DABIGATRAN

SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1

InChI Key InChIKey=YBSJFWOBGCMAKL-UHFFFAOYSA-N

Data  15 KI  19 IC50

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50112086   

TargetProthrombin(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataKi:  4.5nMAssay Description:Inhibition of human coagulation factor alpha-thrombin using Boc-Val-Pro-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataKi:  4.5nMAssay Description:Binding affinity to human thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataKi:  4.5nMAssay Description:Inhibition of human thrombin using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins followed by substrate add...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataKi:  4.5nMAssay Description:Inhibitory constant (Ki) was determined against human thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataKi:  6.30nMAssay Description:Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTrypsin(Homo sapiens (Human))
University Of Nottingham

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataKi:  50nMAssay Description:Inhibition of human trypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1/Trypsin-2(Homo sapiens (Human))
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataKi:  50.3nMAssay Description:Inhibitory constant (Ki) was determined against human trypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease hepsin(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataKi:  835nMAssay Description:Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Sanofi-Aventis R&D

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of factor-10a (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasminogen(Homo sapiens (Human))
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataKi:  1.70E+3nMAssay Description:Inhibitory constant (Ki) was determined against human plasminMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Sanofi-Aventis R&D

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataKi:  3.76E+3nMAssay Description:Inhibitory constant (Ki) was determined against human Coagulation factor Xa (fXa)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Sanofi-Aventis R&D

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataKi:  3.80E+3nMAssay Description:Inhibition of human coagulation factor Xa using Boc-Ile-Glu-Gly-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVitamin K-dependent protein C(Homo sapiens (Human))
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataKi:  2.09E+4nMAssay Description:Inhibitory constant (Ki) was determined against human Activated protein CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTissue-type plasminogen activator(Homo sapiens (Human))
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataKi:  4.54E+4nMAssay Description:Inhibitory constant (Ki) was determined against human Tissue plasminogen activator (tissue plasminogen activator)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Caprotec Bioanalytics

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataKi:  6.00E+4nMAssay Description:Inhibition of human recombinant NQO2-mediated mitomycin C metabolism using NADH as cosubstrate incubated for 5 mins prior to NADH addition measured a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  6nMAssay 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))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  2.53E+4nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  8.10E+3nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  4.70E+3nMAssay Description:Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  10nMAssay Description:Inhibition of human thrombin-mediated platelet aggregation in cell-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Caprotec Bioanalytics

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50: >1.00E+4nMAssay Description:Competitive inhibition of human recombinant NQO2-mediated mitomycin C metabolism using NADH as cosubstrate incubated for 5 mins prior to NADH additio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  2.20nMAssay 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))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of human thrombin pre-incubated for 10 mins before Ac-FVR-AMC substrate addition and measured after 10 mins by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured every 20s for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  2.60nMAssay 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))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  9.30nMAssay Description:Inhibition of human thrombin by chromogenic assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  9.30nMAssay Description:Inhibition of human thrombin using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins followed by substrate add...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  2.60nMAssay Description:Inhibition of thrombin (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  2.60nMAssay Description:Inhibition of thrombin in human blood using fluorogenic Ac-FVR-AMC as substrate by chromogenic assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Caprotec Bioanalytics

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  1.10E+4nMAssay Description:Displacement of (S)-N4-(4-(3-(2-((4-carbamimidoylphenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanamido)butyl)-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  6.40nMAssay Description:Inhibition of human coagulation factor alpha-thrombin using Boc-Val-Pro-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XII(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50: >3.30E+4nMAssay Description:Inhibition of human coagulation factor XIIA using Boc-Gln-Gly-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50112086(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed