BDBM50226803 CHEMBL4069462

SMILES: NS(=O)(=O)c1ccc(NC(=O)OCCCCc2ccc(cc2)N(CCCl)CCCl)cc1

InChI Key: InChIKey=RLLRNUKWHGJIBH-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 = 50226803   

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 2 (Homo sapiens (Human))	BDBM50226803 (CHEMBL4069462) Show SMILES NS(=O)(=O)c1ccc(NC(=O)OCCCCc2ccc(cc2)N(CCCl)CCCl)cc1 Show InChI InChI=1S/C21H27Cl2N3O4S/c22-12-14-26(15-13-23)19-8-4-17(5-9-19)3-1-2-16-30-21(27)25-18-6-10-20(11-7-18)31(24,28)29/h4-11H,1-3,12-16H2,(H,25,27)(H2,24,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	553	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Maastricht University Medical Centre Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50226803 (CHEMBL4069462) Show SMILES NS(=O)(=O)c1ccc(NC(=O)OCCCCc2ccc(cc2)N(CCCl)CCCl)cc1 Show InChI InChI=1S/C21H27Cl2N3O4S/c22-12-14-26(15-13-23)19-8-4-17(5-9-19)3-1-2-16-30-21(27)25-18-6-10-20(11-7-18)31(24,28)29/h4-11H,1-3,12-16H2,(H,25,27)(H2,24,28,29)	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	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Maastricht University Medical Centre Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 9 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50226803 (CHEMBL4069462) Show SMILES NS(=O)(=O)c1ccc(NC(=O)OCCCCc2ccc(cc2)N(CCCl)CCCl)cc1 Show InChI InChI=1S/C21H27Cl2N3O4S/c22-12-14-26(15-13-23)19-8-4-17(5-9-19)3-1-2-16-30-21(27)25-18-6-10-20(11-7-18)31(24,28)29/h4-11H,1-3,12-16H2,(H,25,27)(H2,24,28,29)	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	5.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Maastricht University Medical Centre Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 1 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50226803 (CHEMBL4069462) Show SMILES NS(=O)(=O)c1ccc(NC(=O)OCCCCc2ccc(cc2)N(CCCl)CCCl)cc1 Show InChI InChI=1S/C21H27Cl2N3O4S/c22-12-14-26(15-13-23)19-8-4-17(5-9-19)3-1-2-16-30-21(27)25-18-6-10-20(11-7-18)31(24,28)29/h4-11H,1-3,12-16H2,(H,25,27)(H2,24,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Maastricht University Medical Centre Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 12 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G
					More data for this Ligand-Target Pair