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SMILES: Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1Cl

InChI Key: InChIKey=WOWBESQXEKYUSK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50346462   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor beta (Homo sapiens (Human))	BDBM50346462 ((E)-2-chloro-4,4'-dihydroxybiphenyl-3-carbaldehyde...) Show SMILES Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1Cl Show InChI InChI=1S/C13H10ClNO3/c14-13-10(8-1-3-9(16)4-2-8)5-6-12(17)11(13)7-15-18/h1-6,16-17H,7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human full-length ERbeta receptor by competitive radiometric binding assay				Eur J Med Chem 46: 2453-62 (2011) Article DOI: 10.1016/j.ejmech.2011.03.030 BindingDB Entry DOI: 10.7270/Q2ZC8362
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50346462 ((E)-2-chloro-4,4'-dihydroxybiphenyl-3-carbaldehyde...) Show SMILES Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1Cl Show InChI InChI=1S/C13H10ClNO3/c14-13-10(8-1-3-9(16)4-2-8)5-6-12(17)11(13)7-15-18/h1-6,16-17H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1511-5 (2013) Article DOI: 10.1016/j.bmc.2012.08.057 BindingDB Entry DOI: 10.7270/Q2891765
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50346462 ((E)-2-chloro-4,4'-dihydroxybiphenyl-3-carbaldehyde...) Show SMILES Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1Cl Show InChI InChI=1S/C13H10ClNO3/c14-13-10(8-1-3-9(16)4-2-8)5-6-12(17)11(13)7-15-18/h1-6,16-17H,7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1511-5 (2013) Article DOI: 10.1016/j.bmc.2012.08.057 BindingDB Entry DOI: 10.7270/Q2891765
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50346462 ((E)-2-chloro-4,4'-dihydroxybiphenyl-3-carbaldehyde...) Show SMILES Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1Cl Show InChI InChI=1S/C13H10ClNO3/c14-13-10(8-1-3-9(16)4-2-8)5-6-12(17)11(13)7-15-18/h1-6,16-17H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1511-5 (2013) Article DOI: 10.1016/j.bmc.2012.08.057 BindingDB Entry DOI: 10.7270/Q2891765
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50346462 ((E)-2-chloro-4,4'-dihydroxybiphenyl-3-carbaldehyde...) Show SMILES Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1Cl Show InChI InChI=1S/C13H10ClNO3/c14-13-10(8-1-3-9(16)4-2-8)5-6-12(17)11(13)7-15-18/h1-6,16-17H,7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1511-5 (2013) Article DOI: 10.1016/j.bmc.2012.08.057 BindingDB Entry DOI: 10.7270/Q2891765
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50346462 ((E)-2-chloro-4,4'-dihydroxybiphenyl-3-carbaldehyde...) Show SMILES Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1Cl Show InChI InChI=1S/C13H10ClNO3/c14-13-10(8-1-3-9(16)4-2-8)5-6-12(17)11(13)7-15-18/h1-6,16-17H,7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.580	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Agonist activity at human full-length ERalpha receptor expressed in human HEC1 cells co-expressing (ERE)2-pS2-luc gene assessed as transcriptional ac...				Eur J Med Chem 46: 2453-62 (2011) Article DOI: 10.1016/j.ejmech.2011.03.030 BindingDB Entry DOI: 10.7270/Q2ZC8362
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50346462 ((E)-2-chloro-4,4'-dihydroxybiphenyl-3-carbaldehyde...) Show SMILES Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1Cl Show InChI InChI=1S/C13H10ClNO3/c14-13-10(8-1-3-9(16)4-2-8)5-6-12(17)11(13)7-15-18/h1-6,16-17H,7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.230	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Agonist activity at human full-length ERbeta receptor expressed in human HEC1 cells co-expressing (ERE)2-pS2-luc gene assessed as transcriptional act...				Eur J Med Chem 46: 2453-62 (2011) Article DOI: 10.1016/j.ejmech.2011.03.030 BindingDB Entry DOI: 10.7270/Q2ZC8362
					More data for this Ligand-Target Pair