Compile Data Set for Download or QSAR

Found 15 hits of ki for monomerid = 50031472   

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
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50031472 (1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...) Show SMILES Oc1cccc(O)c1O Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agri Ibrahim Çeçen University					Assay Description Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.				J Enzyme Inhib Med Chem 27: 880-5 (2012) Article DOI: 10.3109/14756366.2011.637202 BindingDB Entry DOI: 10.7270/Q2VH5MRR
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50031472 (1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...) Show SMILES Oc1cccc(O)c1O Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gumushane University Curated by ChEMBL					Assay Description Inhibition of human CA6 using 4-nitrophenylacetate substrate by esterase assay				Bioorg Med Chem Lett 21: 4259-62 (2011) Article DOI: 10.1016/j.bmcl.2011.05.071 BindingDB Entry DOI: 10.7270/Q2PC32Q0
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50031472 (1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...) Show SMILES Oc1cccc(O)c1O Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agri Ibrahim Çeçen University					Assay Description Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.				J Enzyme Inhib Med Chem 27: 880-5 (2012) Article DOI: 10.3109/14756366.2011.637202 BindingDB Entry DOI: 10.7270/Q2VH5MRR
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50031472 (1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...) Show SMILES Oc1cccc(O)c1O Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gumushane University Curated by ChEMBL					Assay Description Inhibition of human CA2 using 4-nitrophenylacetate substrate by esterase assay				Bioorg Med Chem Lett 21: 4259-62 (2011) Article DOI: 10.1016/j.bmcl.2011.05.071 BindingDB Entry DOI: 10.7270/Q2PC32Q0
					More data for this Ligand-Target Pair				3D Structure (docked)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50031472 (1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...) Show SMILES Oc1cccc(O)c1O Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		2.03E+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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50031472 (1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...) Show SMILES Oc1cccc(O)c1O Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		3.63E+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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50031472 (1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...) Show SMILES Oc1cccc(O)c1O Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		3.89E+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
Carbonic anhydrase (Dicentrarchus labrax)	BDBM50031472 (1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...) Show SMILES Oc1cccc(O)c1O Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gumushane University Curated by ChEMBL					Assay Description Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay				Bioorg Med Chem Lett 21: 4259-62 (2011) Article DOI: 10.1016/j.bmcl.2011.05.071 BindingDB Entry DOI: 10.7270/Q2PC32Q0
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50031472 (1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...) Show SMILES Oc1cccc(O)c1O Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		4.43E+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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50031472 (1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...) Show SMILES Oc1cccc(O)c1O Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		6.34E+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
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50031472 (1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...) Show SMILES Oc1cccc(O)c1O Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agri Ibrahim Çeçen University					Assay Description Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.				J Enzyme Inhib Med Chem 27: 880-5 (2012) Article DOI: 10.3109/14756366.2011.637202 BindingDB Entry DOI: 10.7270/Q2VH5MRR
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50031472 (1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...) Show SMILES Oc1cccc(O)c1O Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		7.01E+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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50031472 (1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...) Show SMILES Oc1cccc(O)c1O Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agri Ibrahim Çeçen University					Assay Description Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.				J Enzyme Inhib Med Chem 27: 880-5 (2012) Article DOI: 10.3109/14756366.2011.637202 BindingDB Entry DOI: 10.7270/Q2VH5MRR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50031472 (1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...) Show SMILES Oc1cccc(O)c1O Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gumushane University Curated by ChEMBL					Assay Description Inhibition of human CA1 using 4-nitrophenylacetate substrate by esterase assay				Bioorg Med Chem Lett 21: 4259-62 (2011) Article DOI: 10.1016/j.bmcl.2011.05.071 BindingDB Entry DOI: 10.7270/Q2PC32Q0
					More data for this Ligand-Target Pair
Prolyl 4-hydroxylase subunit alpha-1 (Gallus gallus (Chicken))	BDBM50031472 (1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...) Show SMILES Oc1cccc(O)c1O Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu					Assay Description Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase.				J Biol Chem 261: 7819-23 (1986) BindingDB Entry DOI: 10.7270/Q2SJ1J6Z
					More data for this Ligand-Target Pair