BDBM50332023 6-Acetyl-7-(2-adamantan-1-yl-ethoxy)-chromen-2-one::CHEMBL1290110

SMILES: CC(=O)c1cc2ccc(=O)oc2cc1OCCC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=WUBVIVKBXNEORA-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50332023   

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
Zn finger protein (Nicotiana tabacum)	BDBM50332023 (6-Acetyl-7-(2-adamantan-1-yl-ethoxy)-chromen-2-one...) Show SMILES CC(=O)c1cc2ccc(=O)oc2cc1OCCC12CC3CC(CC(C3)C1)C2 |TLB:26:17:24:21.20.22,THB:26:21:17.18.25:24,22:21:18:25.23.24,22:23:18:26.21.20,16:17:24:21.20.22| Show InChI InChI=1S/C23H26O4/c1-14(24)19-9-18-2-3-22(25)27-20(18)10-21(19)26-5-4-23-11-15-6-16(12-23)8-17(7-15)13-23/h2-3,9-10,15-17H,4-8,11-13H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method				Bioorg Med Chem Lett 20: 7255-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.094 BindingDB Entry DOI: 10.7270/Q2416X9P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50332023 (6-Acetyl-7-(2-adamantan-1-yl-ethoxy)-chromen-2-one...) Show SMILES CC(=O)c1cc2ccc(=O)oc2cc1OCCC12CC3CC(CC(C3)C1)C2 |TLB:26:17:24:21.20.22,THB:26:21:17.18.25:24,22:21:18:25.23.24,22:23:18:26.21.20,16:17:24:21.20.22| Show InChI InChI=1S/C23H26O4/c1-14(24)19-9-18-2-3-22(25)27-20(18)10-21(19)26-5-4-23-11-15-6-16(12-23)8-17(7-15)13-23/h2-3,9-10,15-17H,4-8,11-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method				Bioorg Med Chem Lett 20: 7255-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.094 BindingDB Entry DOI: 10.7270/Q2416X9P
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50332023 (6-Acetyl-7-(2-adamantan-1-yl-ethoxy)-chromen-2-one...) Show SMILES CC(=O)c1cc2ccc(=O)oc2cc1OCCC12CC3CC(CC(C3)C1)C2 |TLB:26:17:24:21.20.22,THB:26:21:17.18.25:24,22:21:18:25.23.24,22:23:18:26.21.20,16:17:24:21.20.22| Show InChI InChI=1S/C23H26O4/c1-14(24)19-9-18-2-3-22(25)27-20(18)10-21(19)26-5-4-23-11-15-6-16(12-23)8-17(7-15)13-23/h2-3,9-10,15-17H,4-8,11-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length human CA1 cytosolic isoform by stopped-flow CO2 hydration method				Bioorg Med Chem Lett 20: 7255-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.094 BindingDB Entry DOI: 10.7270/Q2416X9P
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50332023 (6-Acetyl-7-(2-adamantan-1-yl-ethoxy)-chromen-2-one...) Show SMILES CC(=O)c1cc2ccc(=O)oc2cc1OCCC12CC3CC(CC(C3)C1)C2 |TLB:26:17:24:21.20.22,THB:26:21:17.18.25:24,22:21:18:25.23.24,22:23:18:26.21.20,16:17:24:21.20.22| Show InChI InChI=1S/C23H26O4/c1-14(24)19-9-18-2-3-22(25)27-20(18)10-21(19)26-5-4-23-11-15-6-16(12-23)8-17(7-15)13-23/h2-3,9-10,15-17H,4-8,11-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length human CA2 cytosolic isoform by stopped-flow CO2 hydration method				Bioorg Med Chem Lett 20: 7255-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.094 BindingDB Entry DOI: 10.7270/Q2416X9P
					More data for this Ligand-Target Pair