BDBM50230201 CHEMBL4103176

SMILES: Clc1cccc(Cl)c1Nc1ccccc1CC(=O)NCCOc1ccc2ccc(=O)oc2c1

InChI Key: InChIKey=MAYQUXWUTAAHEK-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 = 50230201   

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))	BDBM50230201 (CHEMBL4103176) Show SMILES Clc1cccc(Cl)c1Nc1ccccc1CC(=O)NCCOc1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C25H20Cl2N2O4/c26-19-5-3-6-20(27)25(19)29-21-7-2-1-4-17(21)14-23(30)28-12-13-32-18-10-8-16-9-11-24(31)33-22(16)15-18/h1-11,15,29H,12-14H2,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10	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))	BDBM50230201 (CHEMBL4103176) Show SMILES Clc1cccc(Cl)c1Nc1ccccc1CC(=O)NCCOc1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C25H20Cl2N2O4/c26-19-5-3-6-20(27)25(19)29-21-7-2-1-4-17(21)14-23(30)28-12-13-32-18-10-8-16-9-11-24(31)33-22(16)15-18/h1-11,15,29H,12-14H2,(H,28,30)	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50230201 (CHEMBL4103176) Show SMILES Clc1cccc(Cl)c1Nc1ccccc1CC(=O)NCCOc1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C25H20Cl2N2O4/c26-19-5-3-6-20(27)25(19)29-21-7-2-1-4-17(21)14-23(30)28-12-13-32-18-10-8-16-9-11-24(31)33-22(16)15-18/h1-11,15,29H,12-14H2,(H,28,30)	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	90	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))	BDBM50230201 (CHEMBL4103176) Show SMILES Clc1cccc(Cl)c1Nc1ccccc1CC(=O)NCCOc1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C25H20Cl2N2O4/c26-19-5-3-6-20(27)25(19)29-21-7-2-1-4-17(21)14-23(30)28-12-13-32-18-10-8-16-9-11-24(31)33-22(16)15-18/h1-11,15,29H,12-14H2,(H,28,30)	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))	BDBM50230201 (CHEMBL4103176) Show SMILES Clc1cccc(Cl)c1Nc1ccccc1CC(=O)NCCOc1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C25H20Cl2N2O4/c26-19-5-3-6-20(27)25(19)29-21-7-2-1-4-17(21)14-23(30)28-12-13-32-18-10-8-16-9-11-24(31)33-22(16)15-18/h1-11,15,29H,12-14H2,(H,28,30)	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))	BDBM50230201 (CHEMBL4103176) Show SMILES Clc1cccc(Cl)c1Nc1ccccc1CC(=O)NCCOc1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C25H20Cl2N2O4/c26-19-5-3-6-20(27)25(19)29-21-7-2-1-4-17(21)14-23(30)28-12-13-32-18-10-8-16-9-11-24(31)33-22(16)15-18/h1-11,15,29H,12-14H2,(H,28,30)	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