BDBM50230203 CHEMBL4067437

SMILES: COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NCCOc1ccc2ccc(=O)oc2c1

InChI Key: InChIKey=QDTHXIATRDGOIR-INIZCTEOSA-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 = 50230203   

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))	BDBM50230203 (CHEMBL4067437) Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NCCOc1ccc2ccc(=O)oc2c1 |r| Show InChI InChI=1S/C25H23NO5/c1-16(18-3-4-20-14-21(29-2)8-6-19(20)13-18)25(28)26-11-12-30-22-9-5-17-7-10-24(27)31-23(17)15-22/h3-10,13-16H,11-12H2,1-2H3,(H,26,28)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.80	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 anhydrase (Homo sapiens (Human))	BDBM50230203 (CHEMBL4067437) Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NCCOc1ccc2ccc(=O)oc2c1 |r| Show InChI InChI=1S/C25H23NO5/c1-16(18-3-4-20-14-21(29-2)8-6-19(20)13-18)25(28)26-11-12-30-22-9-5-17-7-10-24(27)31-23(17)15-22/h3-10,13-16H,11-12H2,1-2H3,(H,26,28)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	81	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 2 (Homo sapiens (Human))	BDBM50230203 (CHEMBL4067437) Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NCCOc1ccc2ccc(=O)oc2c1 |r| Show InChI InChI=1S/C25H23NO5/c1-16(18-3-4-20-14-21(29-2)8-6-19(20)13-18)25(28)26-11-12-30-22-9-5-17-7-10-24(27)31-23(17)15-22/h3-10,13-16H,11-12H2,1-2H3,(H,26,28)/t16-/m0/s1	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 7 (Homo sapiens (Human))	BDBM50230203 (CHEMBL4067437) Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NCCOc1ccc2ccc(=O)oc2c1 |r| Show InChI InChI=1S/C25H23NO5/c1-16(18-3-4-20-14-21(29-2)8-6-19(20)13-18)25(28)26-11-12-30-22-9-5-17-7-10-24(27)31-23(17)15-22/h3-10,13-16H,11-12H2,1-2H3,(H,26,28)/t16-/m0/s1	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50230203 (CHEMBL4067437) Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NCCOc1ccc2ccc(=O)oc2c1 |r| Show InChI InChI=1S/C25H23NO5/c1-16(18-3-4-20-14-21(29-2)8-6-19(20)13-18)25(28)26-11-12-30-22-9-5-17-7-10-24(27)31-23(17)15-22/h3-10,13-16H,11-12H2,1-2H3,(H,26,28)/t16-/m0/s1	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 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 1 (Homo sapiens (Human))	BDBM50230203 (CHEMBL4067437) Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NCCOc1ccc2ccc(=O)oc2c1 |r| Show InChI InChI=1S/C25H23NO5/c1-16(18-3-4-20-14-21(29-2)8-6-19(20)13-18)25(28)26-11-12-30-22-9-5-17-7-10-24(27)31-23(17)15-22/h3-10,13-16H,11-12H2,1-2H3,(H,26,28)/t16-/m0/s1	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