BDBM50504292 CHEMBL4589224

SMILES: NS(=O)(=O)c1ccc(C\N=C\c2cc(Br)ccc2OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)cc1

InChI Key: InChIKey=CWNSIECFTJQYPQ-VTNSRFBWSA-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 = 50504292   

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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50504292 (CHEMBL4589224) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2cc(Br)ccc2OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)cc1 Show InChI InChI=1S/C29H26BrN5O6S/c30-23-6-10-27(22(14-23)17-32-16-20-2-8-26(9-3-20)42(31,37)38)40-19-24-18-35(34-33-24)12-1-13-39-25-7-4-21-5-11-29(36)41-28(21)15-25/h2-11,14-15,17-18H,1,12-13,16,19H2,(H2,31,37,38)/b32-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504292 (CHEMBL4589224) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2cc(Br)ccc2OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)cc1 Show InChI InChI=1S/C29H26BrN5O6S/c30-23-6-10-27(22(14-23)17-32-16-20-2-8-26(9-3-20)42(31,37)38)40-19-24-18-35(34-33-24)12-1-13-39-25-7-4-21-5-11-29(36)41-28(21)15-25/h2-11,14-15,17-18H,1,12-13,16,19H2,(H2,31,37,38)/b32-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	791	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504292 (CHEMBL4589224) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2cc(Br)ccc2OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)cc1 Show InChI InChI=1S/C29H26BrN5O6S/c30-23-6-10-27(22(14-23)17-32-16-20-2-8-26(9-3-20)42(31,37)38)40-19-24-18-35(34-33-24)12-1-13-39-25-7-4-21-5-11-29(36)41-28(21)15-25/h2-11,14-15,17-18H,1,12-13,16,19H2,(H2,31,37,38)/b32-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	919	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydra...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504292 (CHEMBL4589224) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2cc(Br)ccc2OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)cc1 Show InChI InChI=1S/C29H26BrN5O6S/c30-23-6-10-27(22(14-23)17-32-16-20-2-8-26(9-3-20)42(31,37)38)40-19-24-18-35(34-33-24)12-1-13-39-25-7-4-21-5-11-29(36)41-28(21)15-25/h2-11,14-15,17-18H,1,12-13,16,19H2,(H2,31,37,38)/b32-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702
					More data for this Ligand-Target Pair