BDBM50346463 (E)-2-chloro-3'-fluoro-4,4'-dihydroxybiphenyl-3-carbaldehyde oxime::CHEMBL1782958

SMILES: Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1Cl

InChI Key: InChIKey=LJPIWESQQAGJHE-UHFFFAOYSA-N

Data: 5 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50346463   

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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50346463 ((E)-2-chloro-3'-fluoro-4,4'-dihydroxybiphenyl-3-ca...) Show SMILES Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1Cl Show InChI InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-5,17-18H,6H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem	Article PubMed	0.570	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))	BDBM50346463 ((E)-2-chloro-3'-fluoro-4,4'-dihydroxybiphenyl-3-ca...) Show SMILES Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1Cl Show InChI InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-5,17-18H,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem	Article PubMed	3.74E+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 12 (Homo sapiens (Human))	BDBM50346463 ((E)-2-chloro-3'-fluoro-4,4'-dihydroxybiphenyl-3-ca...) Show SMILES Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1Cl Show InChI InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-5,17-18H,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem	Article PubMed	5.53E+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))	BDBM50346463 ((E)-2-chloro-3'-fluoro-4,4'-dihydroxybiphenyl-3-ca...) Show SMILES Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1Cl Show InChI InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-5,17-18H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem	Article PubMed	7.04E+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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50346463 ((E)-2-chloro-3'-fluoro-4,4'-dihydroxybiphenyl-3-ca...) Show SMILES Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1Cl Show InChI InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-5,17-18H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem	Article PubMed	7.27E+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
Estrogen receptor (Homo sapiens (Human))	BDBM50346463 ((E)-2-chloro-3'-fluoro-4,4'-dihydroxybiphenyl-3-ca...) Show SMILES Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1Cl Show InChI InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-5,17-18H,6H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.40	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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50346463 ((E)-2-chloro-3'-fluoro-4,4'-dihydroxybiphenyl-3-ca...) Show SMILES Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1Cl Show InChI InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-5,17-18H,6H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.30	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