Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neutrophil elastase (Homo sapiens (Human)) | BDBM50061031 ((S)-1-[(S)-2-(4-Benzenesulfonylaminocarbonyl-benzo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for human leukocyte elastase | J Med Chem 40: 3173-81 (1997) Article DOI: 10.1021/jm970250z BindingDB Entry DOI: 10.7270/Q2GT5M85 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50029246 (1-[5-(4-Benzofuran-7-yl-piperazin-1-ylmethyl)-thio...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101 | J Med Chem 38: 4198-210 (1995) BindingDB Entry DOI: 10.7270/Q2GX4C61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin) | Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc. Curated by ChEMBL | Assay Description Inhibition of EGFR T790M/L858R mutant (unknown origin) by high-throughput biochemical screening | J Med Chem 57: 10176-91 (2014) Article DOI: 10.1021/jm501578n BindingDB Entry DOI: 10.7270/Q2XK8H5B | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
B1 bradykinin receptor (Homo sapiens (Human)) | BDBM50344100 (2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-2-piper...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Antagonist activity at human B1 receptor | J Med Chem 54: 7232-46 (2011) Article DOI: 10.1021/jm200808v BindingDB Entry DOI: 10.7270/Q28C9WP1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank MMDB PDB Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of wild type EGFR (unknown origin) | Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank MMDB PDB Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system by mass... | ACS Med Chem Lett 7: 100-4 (2016) Article DOI: 10.1021/acsmedchemlett.5b00428 BindingDB Entry DOI: 10.7270/Q25T3NCC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank MMDB PDB Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc. Curated by ChEMBL | Assay Description Inhibition of wild-type EGFR (unknown origin) by high-throughput biochemical screening | J Med Chem 57: 10176-91 (2014) Article DOI: 10.1021/jm501578n BindingDB Entry DOI: 10.7270/Q2XK8H5B | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nuclear receptor ROR-gamma (Homo sapiens (Human)) | BDBM504229 (N-[2-[(2R)-2-Fluoro-3-hydroxy- 3-methyl-butyl]-6-i...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over... | Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity was determined against Dopamine receptor D2 using [3H]spiperone | J Med Chem 38: 4198-210 (1995) BindingDB Entry DOI: 10.7270/Q2GX4C61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50141636 (CHEMBL3758502) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin) | Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50029257 ((3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)p...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity towards alpha-1A adrenergic receptors using alpha1A ligand WB4101 | J Med Chem 37: 1060-2 (1994) BindingDB Entry DOI: 10.7270/Q23R0RXB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Oryctolagus cuniculus (rabbit)) | BDBM19854 (CHEMBL426819 | CRA-013783/L-006235 | N-{1-[(cyanom...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc. Curated by ChEMBL | Assay Description Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate | J Med Chem 48: 7520-34 (2005) Article DOI: 10.1021/jm058198r BindingDB Entry DOI: 10.7270/Q23T9GSB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50064563 (CHEMBL61816 | [3-(4-Benzofuran-6-yl-piperazin-1-yl...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex | J Med Chem 41: 1997-2009 (1998) Article DOI: 10.1021/jm970164z BindingDB Entry DOI: 10.7270/Q2KK9CG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50036095 (2-[5-Cyclohexanesulfonylamino-2-(4-fluoro-phenyl)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA | J Med Chem 38: 98-108 (1995) BindingDB Entry DOI: 10.7270/Q2JW8CX7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Oryctolagus cuniculus (rabbit)) | BDBM50410611 (CHEMBL414669) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc. Curated by ChEMBL | Assay Description Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate | J Med Chem 48: 7520-34 (2005) Article DOI: 10.1021/jm058198r BindingDB Entry DOI: 10.7270/Q23T9GSB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50029262 (Pentanoic acid {5-[4-(2-isopropoxy-phenyl)-piperaz...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101 | J Med Chem 38: 4198-210 (1995) BindingDB Entry DOI: 10.7270/Q2GX4C61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor ROR-gamma (Homo sapiens (Human)) | BDBM504219 ((R)-N-(6-(2,2-Difluoroethoxy)- 2-(2-fluoro-3-hydro...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over... | Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor ROR-gamma (Homo sapiens (Human)) | BDBM504215 (N-[6-(3-Fluorocyclobutoxy)-2- [(2R)-2-fluoro-3-hyd...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over... | Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Oryctolagus cuniculus (rabbit)) | BDBM50410588 (CHEMBL200708) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc. Curated by ChEMBL | Assay Description Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate | J Med Chem 48: 7520-34 (2005) Article DOI: 10.1021/jm058198r BindingDB Entry DOI: 10.7270/Q23T9GSB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc. Curated by ChEMBL | Assay Description Inhibition of EGFR T790M/del746 to 750 mutant (unknown origin) by high-throughput biochemical screening | J Med Chem 57: 10176-91 (2014) Article DOI: 10.1021/jm501578n BindingDB Entry DOI: 10.7270/Q2XK8H5B | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
B1 bradykinin receptor (Homo sapiens (Human)) | BDBM50355063 (CHEMBL1834619) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Antagonist activity at human B1 receptor | J Med Chem 54: 7232-46 (2011) Article DOI: 10.1021/jm200808v BindingDB Entry DOI: 10.7270/Q28C9WP1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of EGFR L858R mutant (unknown origin) | Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50064537 (CHEMBL293658 | {3-[4-(2,3-Dihydro-benzo[1,4]dioxin...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex | J Med Chem 41: 1997-2009 (1998) Article DOI: 10.1021/jm970164z BindingDB Entry DOI: 10.7270/Q2KK9CG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50061028 ((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for human leukocyte elastase | J Med Chem 40: 3173-81 (1997) Article DOI: 10.1021/jm970250z BindingDB Entry DOI: 10.7270/Q2GT5M85 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50061047 (((S)-2,2-Difluoro-5-methyl-4-{[(S)-1-((S)-3-methyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for human leukocyte elastase | J Med Chem 40: 3173-81 (1997) Article DOI: 10.1021/jm970250z BindingDB Entry DOI: 10.7270/Q2GT5M85 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50061043 (CHEMBL106592 | [(S)-1-((S)-2-{(S)-3,3-Difluoro-1-i...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for human leukocyte elastase | J Med Chem 40: 3173-81 (1997) Article DOI: 10.1021/jm970250z BindingDB Entry DOI: 10.7270/Q2GT5M85 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor ROR-gamma (Homo sapiens (Human)) | BDBM504233 ((R)-N-(6-Ethoxy-2-(2-fluoro-3- hydroxy-3-methylbut...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over... | Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity with Dopamine receptor D2 using membranes prepared from rat striatum | J Med Chem 41: 1997-2009 (1998) Article DOI: 10.1021/jm970164z BindingDB Entry DOI: 10.7270/Q2KK9CG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PubMed | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity towards dopamine D2 receptors in rat brain synaptosomal preparations | J Med Chem 37: 1060-2 (1994) BindingDB Entry DOI: 10.7270/Q23R0RXB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50061037 (CHEMBL302961 | {(S)-1-[(S)-2-((S)-3-Carbamoyl-3,3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for human leukocyte elastase | J Med Chem 40: 3173-81 (1997) Article DOI: 10.1021/jm970250z BindingDB Entry DOI: 10.7270/Q2GT5M85 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50141902 (CHEMBL3758602) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin) | Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50058357 (1-[(S)-3-Methyl-2-(4-phenoxy-benzoylamino)-butyryl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay | J Med Chem 40: 1876-85 (1997) Article DOI: 10.1021/jm960819g BindingDB Entry DOI: 10.7270/Q2X92BZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50029268 (Azepan-1-yl-{5-[4-(2-isopropoxy-phenyl)-piperazin-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101 | J Med Chem 38: 4198-210 (1995) BindingDB Entry DOI: 10.7270/Q2GX4C61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor ROR-gamma (Homo sapiens (Human)) | BDBM504232 ((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-iso...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over... | Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50058376 (4-((E)-2-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-iso...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay | J Med Chem 40: 1876-85 (1997) Article DOI: 10.1021/jm960819g BindingDB Entry DOI: 10.7270/Q2X92BZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Oryctolagus cuniculus (rabbit)) | BDBM50410609 (CHEMBL198798) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc. Curated by ChEMBL | Assay Description Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate | J Med Chem 48: 7520-34 (2005) Article DOI: 10.1021/jm058198r BindingDB Entry DOI: 10.7270/Q23T9GSB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50064529 (Azepan-1-yl-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex | J Med Chem 41: 1997-2009 (1998) Article DOI: 10.1021/jm970164z BindingDB Entry DOI: 10.7270/Q2KK9CG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Oryctolagus cuniculus (rabbit)) | BDBM50410590 (CHEMBL200543) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc. Curated by ChEMBL | Assay Description Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate | J Med Chem 48: 7520-34 (2005) Article DOI: 10.1021/jm058198r BindingDB Entry DOI: 10.7270/Q23T9GSB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Oryctolagus cuniculus (rabbit)) | BDBM50410587 (CHEMBL200602) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc. Curated by ChEMBL | Assay Description Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate | J Med Chem 48: 7520-34 (2005) Article DOI: 10.1021/jm058198r BindingDB Entry DOI: 10.7270/Q23T9GSB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor ROR-gamma (Homo sapiens (Human)) | BDBM504234 (US11034698, Example 83 | US11034698, Example 84) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over... | Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Oryctolagus cuniculus (rabbit)) | BDBM19854 (CHEMBL426819 | CRA-013783/L-006235 | N-{1-[(cyanom...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc. Curated by ChEMBL | Assay Description Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate | J Med Chem 48: 7520-34 (2005) Article DOI: 10.1021/jm058198r BindingDB Entry DOI: 10.7270/Q23T9GSB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human)) | BDBM50514929 (CHEMBL4474636) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i... | J Med Chem 62: 6223-6240 (2019) Article DOI: 10.1021/acs.jmedchem.9b00439 BindingDB Entry DOI: 10.7270/Q2CC1419 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human)) | BDBM50514930 (CHEMBL4464832) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i... | J Med Chem 62: 6223-6240 (2019) Article DOI: 10.1021/acs.jmedchem.9b00439 BindingDB Entry DOI: 10.7270/Q2CC1419 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50035500 ((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay | J Med Chem 40: 1876-85 (1997) Article DOI: 10.1021/jm960819g BindingDB Entry DOI: 10.7270/Q2X92BZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50141636 (CHEMBL3758502) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of EGFR L858R mutant (unknown origin) | Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50141610 (CHEMBL3759096) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of EGFR L858R mutant (unknown origin) | Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50141610 (CHEMBL3759096) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin) | Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nuclear receptor ROR-gamma (Homo sapiens (Human)) | BDBM504239 ((R)-N-(6-(Difluoromethoxy)-2- (2-fluoro-3-hydroxy-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over... | Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor ROR-gamma (Homo sapiens (Human)) | BDBM504218 (N-[6-(3-Chlorocyclobutoxy)-2- [(2R)-2-fluoro-3-hyd...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over... | Citation and Details BindingDB Entry DOI: 10.7270/Q24B34FX | |||||||||||
More data for this Ligand-Target Pair |
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