BDBM50230194 CHEMBL4082922

SMILES: CC(C(=O)NCCOc1ccc2oc(=O)ccc2c1)c1cccc(c1)C(=O)c1ccccc1

InChI Key: InChIKey=DVWBHLMOMYEMGE-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50230194   

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
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230194 (CHEMBL4082922) Show SMILES CC(C(=O)NCCOc1ccc2oc(=O)ccc2c1)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H23NO5/c1-18(20-8-5-9-22(16-20)26(30)19-6-3-2-4-7-19)27(31)28-14-15-32-23-11-12-24-21(17-23)10-13-25(29)33-24/h2-13,16-18H,14-15H2,1H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 60: 1159-1170 (2017) BindingDB Entry DOI: 10.7270/Q2PC34NX
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50230194 (CHEMBL4082922) Show SMILES CC(C(=O)NCCOc1ccc2oc(=O)ccc2c1)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H23NO5/c1-18(20-8-5-9-22(16-20)26(30)19-6-3-2-4-7-19)27(31)28-14-15-32-23-11-12-24-21(17-23)10-13-25(29)33-24/h2-13,16-18H,14-15H2,1H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA9 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 60: 1159-1170 (2017) BindingDB Entry DOI: 10.7270/Q2PC34NX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50230194 (CHEMBL4082922) Show SMILES CC(C(=O)NCCOc1ccc2oc(=O)ccc2c1)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H23NO5/c1-18(20-8-5-9-22(16-20)26(30)19-6-3-2-4-7-19)27(31)28-14-15-32-23-11-12-24-21(17-23)10-13-25(29)33-24/h2-13,16-18H,14-15H2,1H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 60: 1159-1170 (2017) BindingDB Entry DOI: 10.7270/Q2PC34NX
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50230194 (CHEMBL4082922) Show SMILES CC(C(=O)NCCOc1ccc2oc(=O)ccc2c1)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H23NO5/c1-18(20-8-5-9-22(16-20)26(30)19-6-3-2-4-7-19)27(31)28-14-15-32-23-11-12-24-21(17-23)10-13-25(29)33-24/h2-13,16-18H,14-15H2,1H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA12 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 60: 1159-1170 (2017) BindingDB Entry DOI: 10.7270/Q2PC34NX
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50230194 (CHEMBL4082922) Show SMILES CC(C(=O)NCCOc1ccc2oc(=O)ccc2c1)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H23NO5/c1-18(20-8-5-9-22(16-20)26(30)19-6-3-2-4-7-19)27(31)28-14-15-32-23-11-12-24-21(17-23)10-13-25(29)33-24/h2-13,16-18H,14-15H2,1H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA7 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 60: 1159-1170 (2017) BindingDB Entry DOI: 10.7270/Q2PC34NX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50230194 (CHEMBL4082922) Show SMILES CC(C(=O)NCCOc1ccc2oc(=O)ccc2c1)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H23NO5/c1-18(20-8-5-9-22(16-20)26(30)19-6-3-2-4-7-19)27(31)28-14-15-32-23-11-12-24-21(17-23)10-13-25(29)33-24/h2-13,16-18H,14-15H2,1H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA1 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 60: 1159-1170 (2017) BindingDB Entry DOI: 10.7270/Q2PC34NX
					More data for this Ligand-Target Pair