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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Melatonin receptor type 1A (Homo sapiens (Human)) | BDBM50114703![]() (CHEMBL287560 | N-[2-(5-Methoxy-2-phenyl-benzofuran...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor type 1B (Homo sapiens (Human)) | BDBM50114703![]() (CHEMBL287560 | N-[2-(5-Methoxy-2-phenyl-benzofuran...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50082556![]() ((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor type 1B (Homo sapiens (Human)) | BDBM50114716![]() (CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22000![]() (7-[(3-hydroxypropyl)sulfanyl]-2-methyl-4-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem Patents Similars | PubMed | 0.0955 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat)) | BDBM21367![]() (6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50082556![]() ((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22001![]() (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | PubMed | 0.275 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22001![]() (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | PubMed | 0.302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM21986![]() (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM21986![]() (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.331 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22002![]() (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 0.355 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22002![]() (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 0.355 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50367061![]() (NALORPHINE | NALORPHINE HYDROCHLORIDE) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase KEGG PC cid PC sid UniChem Similars | Article PubMed | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50150945![]() (CHEBI:81390 | Immepip) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | 0.479 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50000092![]() ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50062351![]() ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aminopeptidase N (Sus scrofa (Pig)) | BDBM50457465![]() (CHEMBL4204736) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University Curated by ChEMBL | Assay Description Inhibition of APN in porcine kidney using Ala-p-NA as substrate | J Med Chem 61: 6468-6490 (2018) Article DOI: 10.1021/acs.jmedchem.7b00782 BindingDB Entry DOI: 10.7270/Q28S4SHS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50556952![]() (CHEMBL4754487) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Mixed-type inhibition of recombinant human AChE assessed as inhibition constant using acetylthiocholine iodide as substrate by Cornish-Bowden plot an... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Type-2 angiotensin II receptor (Homo sapiens (Human)) | BDBM50199326![]() (CHEMBL217673 | N-butyloxycarbonyl-2-(4-imidazol-1-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22000![]() (7-[(3-hydroxypropyl)sulfanyl]-2-methyl-4-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem Patents Similars | PubMed | 0.708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16300![]() (INH-NAD Adduct | ISONICOTINIC-ACETYL-NICOTINAMIDE-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | KEGG MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.75 | -51.6 | n/a | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook | Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat... | ACS Chem Biol 1: 43-53 (2006) Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50556952![]() (CHEMBL4754487) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Mixed-type inhibition of recombinant human AChE assessed as dissociation constant for protein-substrate-compound complex using acetylthiocholine iodi... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16298![]() (5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 1.10 | -50.6 | n/a | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook | Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat... | ACS Chem Biol 1: 43-53 (2006) Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM21986![]() (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor type 1A (Homo sapiens (Human)) | BDBM50114716![]() (CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nociceptin receptor (Homo sapiens (Human)) | BDBM50147740![]() (1-(1-Cyclooctyl-piperidin-4-yl)-1,3-dihydro-indol-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM21221![]() ((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aminopeptidase N (Sus scrofa (Pig)) | BDBM50457475![]() (CHEMBL4216408) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University Curated by ChEMBL | Assay Description Inhibition of APN in porcine kidney using Ala-p-NA as substrate | J Med Chem 61: 6468-6490 (2018) Article DOI: 10.1021/acs.jmedchem.7b00782 BindingDB Entry DOI: 10.7270/Q28S4SHS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Type-2 angiotensin II receptor (Homo sapiens (Human)) | BDBM50049195![]() (3-[(2'-(butylsulfonylcarbamate)-3'-propyl-1,1'-bip...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50118812![]() ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibitory activity against Beta-glucosidase from Yeast | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50088421![]() ((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50138301![]() (4-[(S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phen...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50367061![]() (NALORPHINE | NALORPHINE HYDROCHLORIDE) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase KEGG PC cid PC sid UniChem Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Type-2 angiotensin II receptor (Homo sapiens (Human)) | BDBM50141059![]() (CHEMBL289614 | L-162782 | N-Butyloxycarbonyl-4'-(2...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50118336![]() (1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibitory activity against Beta-glucosidase from Yeast | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50592900![]() (CHEMBL5175770) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22025![]() (5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-6-(1H-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM50416571![]() (CHEMBL1221551) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM13126![]() ((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM50416571![]() (CHEMBL1221551) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil collagenase (Homo sapiens (Human)) | BDBM50592900![]() (CHEMBL5175770) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50409817![]() (CHEMBL78498 | VUF-5681) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... | J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Macrophage metalloelastase (Homo sapiens (Human)) | BDBM50433864![]() (CHEMBL2380403) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50335495![]() (4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-14 (Homo sapiens (Human)) | BDBM50433864![]() (CHEMBL2380403) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM207629![]() (US9265734, R01 | US9796664, Compound R01) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM50157087![]() (6-(2-Phenyl-cyclopropyl)-8-(pyrimidin-2-ylamino)-n...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Binding affinity value against urokinase plasminogen activator | Bioorg Med Chem Lett 15: 93-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.026 BindingDB Entry DOI: 10.7270/Q2R210W5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22017![]() (3-methyl-1-(2-methylpropyl)-5-(pyrrolidin-1-ylcarb...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22017![]() (3-methyl-1-(2-methylpropyl)-5-(pyrrolidin-1-ylcarb...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair |
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