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3D Structure (crystal)

Tyrosine-protein kinase JAK3(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

BDBM50300196(10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....)

Ki: 0.00500nMAssay Description:Inhibition of recombinant JAK3Checked by AuthorMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Tyrosine-protein kinase JAK3(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

BDBM50300196(10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....)

Ki: 0.00500nMAssay Description:Inhibition of recombinant JAK3Checked by AuthorMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Cannabinoid receptor 2(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL

BDBM50572486(CHEMBL4860950)

Ki: 1.40nMAssay Description:Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Cannabinoid receptor 1(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL

BDBM50572486(CHEMBL4860950)

Ki: 1.5nMAssay Description:Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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Cannabinoid receptor 2(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL

BDBM50353747(CHEMBL561013 | JWH-018)

Ki: 2.90nMAssay Description:Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...More data for this Ligand-Target Pair

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PDB Reactome pathway KEGG
UniProtKB/SwissProt
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Cannabinoid receptor 2(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL

BDBM50572487(CHEMBL4856192)

Ki: 4.90nMAssay Description:Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Cannabinoid receptor 1(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL

BDBM50353747(CHEMBL561013 | JWH-018)

Ki: 9nMAssay Description:Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...More data for this Ligand-Target Pair

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PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Cannabinoid receptor 2(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL

BDBM50572485(CHEMBL4855206)

Ki: 16nMAssay Description:Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...More data for this Ligand-Target Pair

PDB KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

ALK tyrosine kinase receptor(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

BDBM50300196(10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....)

Ki: 17nMAssay Description:Inhibition of ALKChecked by AuthorMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Cannabinoid receptor 2(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL

BDBM50572489(CHEMBL4877815)

Ki: 24nMAssay Description:Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Cannabinoid receptor 1(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL

BDBM50572487(CHEMBL4856192)

Ki: 39nMAssay Description:Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Cannabinoid receptor 2(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL

BDBM50572488(CHEMBL4866238)

Ki: 63nMAssay Description:Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...More data for this Ligand-Target Pair

Voltage-dependent L-type calcium channel subunit alpha-1S(Rattus norvegicus)
Universita Degli Studi Di Bologna

Curated by ChEMBL

BDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)

Ki: 85nMAssay Description:Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation countingMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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Details Article PubMed PDB

3D Structure (crystal)

Cannabinoid receptor 2(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL

BDBM50572490(CHEMBL4872576)

Ki: 130nMAssay Description:Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Cannabinoid receptor 1(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL

BDBM50572485(CHEMBL4855206)

Ki: 152nMAssay Description:Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar

Mast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

BDBM50300196(10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....)

Ki: 190nMAssay Description:Inhibition of cKitChecked by AuthorMore data for this Ligand-Target Pair

Voltage-dependent L-type calcium channel subunit alpha-1S(Rattus norvegicus)
Universita Degli Studi Di Bologna

Curated by ChEMBL

BDBM50479923(CHEMBL521744)

Ki: 200nMAssay Description:Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation countingMore data for this Ligand-Target Pair

KEGG PC cid PC sid

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Tyrosine-protein kinase JAK2(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

BDBM50300198(5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine | CHEM...)

Ki: 260nMAssay Description:Inhibition of recombinant JAK2Checked by AuthorMore data for this Ligand-Target Pair

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Voltage-dependent L-type calcium channel subunit alpha-1S(Rattus norvegicus)
Universita Degli Studi Di Bologna

Curated by ChEMBL

BDBM50479922(CHEMBL489002)

Ki: 290nMAssay Description:Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation countingMore data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Cannabinoid receptor 1(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL

BDBM50572489(CHEMBL4877815)

Ki: 325nMAssay Description:Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...More data for this Ligand-Target Pair

MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar

Mitogen-activated protein kinase kinase kinase kinase 2(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

BDBM50300196(10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....)

Ki: 340nMAssay Description:Inhibition of GCKChecked by AuthorMore data for this Ligand-Target Pair

Voltage-dependent L-type calcium channel subunit alpha-1S(Rattus norvegicus)
Universita Degli Studi Di Bologna

Curated by ChEMBL

BDBM50479455(CHEMBL492668)

Ki: 450nMAssay Description:Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytesMore data for this Ligand-Target Pair

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PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Tyrosine-protein kinase JAK2(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

BDBM50300197(4-phenyl-7H-pyrrolo[2,3-d]pyrimidine | CHEMBL57897...)

Ki: 480nMAssay Description:Inhibition of recombinant JAK2Checked by AuthorMore data for this Ligand-Target Pair

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Voltage-dependent L-type calcium channel subunit alpha-1S(Rattus norvegicus)
Universita Degli Studi Di Bologna

Curated by ChEMBL

BDBM50479921(CHEMBL508166)

Ki: 490nMAssay Description:Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation countingMore data for this Ligand-Target Pair

Voltage-dependent L-type calcium channel subunit alpha-1S(Rattus norvegicus)
Universita Degli Studi Di Bologna

Curated by ChEMBL

BDBM81464(2-[(4-chlorophenyl)-(2-pyridyl)methoxy]ethyl-dimet...)

Ki: 1.08E+3nMAssay Description:Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytesMore data for this Ligand-Target Pair

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PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Cannabinoid receptor 1(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL

BDBM50572488(CHEMBL4866238)

Ki: 1.90E+3nMAssay Description:Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Cannabinoid receptor 1(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL

BDBM50572490(CHEMBL4872576)

Ki: 2.56E+3nMAssay Description:Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
GoogleScholar

Voltage-dependent L-type calcium channel subunit alpha-1C(RAT)
Universit£

Curated by ChEMBL

BDBM50475854(CHEMBL386435)

Ki: 3.02E+3nMAssay Description:Inhibition of [3H]diltiazem binding to Sprague-Dawley rat cardiomyocytesMore data for this Ligand-Target Pair

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Voltage-dependent L-type calcium channel subunit alpha-1S(Rattus norvegicus)
Universita Degli Studi Di Bologna

Curated by ChEMBL

BDBM60973((2R)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-...)

Ki: 1.45E+4nMAssay Description:Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytesMore data for this Ligand-Target Pair

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Voltage-dependent L-type calcium channel subunit alpha-1S(Rattus norvegicus)
Universita Degli Studi Di Bologna

Curated by ChEMBL

BDBM50479920(CHEMBL523271)

Ki: 2.37E+4nMAssay Description:Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation countingMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

Endothelin-1 receptor(RAT)
University Of Innsbruck

Curated by ChEMBL

BDBM50061096((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(butane-1...)

IC50: 0.0400nMAssay Description:Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

Endothelin-1 receptor(RAT)
University Of Innsbruck

Curated by ChEMBL

BDBM50146613(5-{5-[(Z)-3-Benzo[1,3]dioxol-5-yl-3-carboxy-2-(4-m...)

IC50: 0.0500nMAssay Description:Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.More data for this Ligand-Target Pair

ChEBI
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PDB Reactome pathway
UniProtKB/SwissProt
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Integrin alpha-V/beta-3(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL

BDBM50145527((S)-5-{4-[3-(5-Fluoro-1,4,5,6-tetrahydro-pyrimidin...)

IC50: 0.0550nMAssay Description:Inhibitory activity was determined against human vitronectin receptor (alpha V beta 3)More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar

Integrin alpha-V/beta-3(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL

BDBM50145533((S)-2-Benzyloxycarbonylamino-5-oxo-5-{4-[3-(4,5,6,...)

IC50: 0.0560nMAssay Description:Inhibition of binding to human alphaV-beta3 integrinMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar

Integrin alpha-V/beta-3(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL

BDBM50145528((S)-2-Benzyloxycarbonylamino-5-oxo-5-{4-[3-(1,4,5,...)

IC50: 0.0580nMAssay Description:Inhibitory activity was determined against human alpha IIb beta3 integrinMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar

Integrin alpha-V/beta-3(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL

BDBM50145530((S)-2-Benzyloxycarbonylamino-5-{4-[3-(5-fluoro-1,4...)

IC50: 0.0630nMAssay Description:Inhibitory activity was determined against human alpha IIb beta3 integrinMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

Endothelin-1 receptor(RAT)
University Of Innsbruck

Curated by ChEMBL

BDBM50146606((Z)-2-Benzo[1,3]dioxol-5-yl-4-(4-methoxy-phenyl)-4...)

IC50: 0.120nMAssay Description:Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.More data for this Ligand-Target Pair

ChEBI
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PDB Reactome pathway
UniProtKB/SwissProt
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Integrin alpha-V/beta-3(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL

BDBM50145526((S)-2-Benzyloxycarbonylamino-5-{4-[3-(5-hydroxy-1,...)

IC50: 0.150nMAssay Description:Inhibitory activity was determined against human vitronectin receptor (alpha V beta 3)More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar

Integrin alpha-V/beta-3(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL

BDBM50145525(2-Benzyloxycarbonylamino-5-{4-[3-(4,5-dihydro-1H-i...)

IC50: 0.160nMAssay Description:Inhibition of binding to human alphaV-beta3 integrinMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

Endothelin-1 receptor(RAT)
University Of Innsbruck

Curated by ChEMBL

BDBM50112678((R)-2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-(4-meth...)

IC50: 0.190nMAssay Description:Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar

Integrin alpha-V/beta-3(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL

BDBM50145523((S)-5-Oxo-5-{4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-...)

IC50: 0.220nMAssay Description:Inhibitory activity was determined against human alpha IIb beta3 integrinMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

Endothelin-1 receptor(RAT)
University Of Innsbruck

Curated by ChEMBL

BDBM50146619((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)

IC50: 0.290nMAssay Description:Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Neprilysin(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL

BDBM153128(US8993631, 36)

IC50: 0.300nMAssay Description:Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...More data for this Ligand-Target Pair

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PDB Reactome pathway
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Integrin alpha-V/beta-3(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL

BDBM50145522((S)-5-{4-[3-(5-Hydroxy-1,4,5,6-tetrahydro-pyrimidi...)

IC50: 0.300nMAssay Description:Inhibitory activity was determined against human alpha IIb beta3 integrinMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Cytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL

BDBM50444550(CHEMBL3099704)

IC50: 0.300nMAssay Description:Inhibition of human recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assayMore data for this Ligand-Target Pair

KEGG
UniProtKB/SwissProt
GoogleScholar

Cytochrome P450 11B1, mitochondrial(Rattus norvegicus)
Novartis Institutes For Biomedical Research

Curated by ChEMBL

BDBM50444550(CHEMBL3099704)

IC50: 0.300nMAssay Description:Inhibition of rat recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assayMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

Endothelin-1 receptor(RAT)
University Of Innsbruck

Curated by ChEMBL

BDBM50051007((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)

IC50: 0.310nMAssay Description:Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.More data for this Ligand-Target Pair

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PDB Reactome pathway
UniProtKB/SwissProt
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Integrin alpha-V/beta-3(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL

BDBM50145529((S)-2-Isobutoxycarbonylamino-5-oxo-5-{4-[3-(1,4,5,...)

IC50: 0.320nMAssay Description:Inhibitory activity was determined against human alpha IIb beta3 integrinMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar

Integrin alpha-V/beta-3(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL

BDBM50145532((S)-5-{4-[3-(5,5-Dimethyl-1,4,5,6-tetrahydro-pyrim...)

IC50: 0.380nMAssay Description:Inhibitory activity was determined against human vitronectin receptor (alpha V beta 3)More data for this Ligand-Target Pair