BDBM50504284 CHEMBL4590079

SMILES: COc1cccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1

InChI Key: InChIKey=OSYVHKWXSHKCNF-KCSSXMTESA-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 = 50504284   

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))	BDBM50504284 (CHEMBL4590079) Show SMILES COc1cccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C30H29N5O7S/c1-39-27-5-2-4-23(18-32-17-21-6-11-26(12-7-21)43(31,37)38)30(27)41-20-24-19-35(34-33-24)14-3-15-40-25-10-8-22-9-13-29(36)42-28(22)16-25/h2,4-13,16,18-19H,3,14-15,17,20H2,1H3,(H2,31,37,38)/b32-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	389	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50504284 (CHEMBL4590079) Show SMILES COc1cccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C30H29N5O7S/c1-39-27-5-2-4-23(18-32-17-21-6-11-26(12-7-21)43(31,37)38)30(27)41-20-24-19-35(34-33-24)14-3-15-40-25-10-8-22-9-13-29(36)42-28(22)16-25/h2,4-13,16,18-19H,3,14-15,17,20H2,1H3,(H2,31,37,38)/b32-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+3	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 (Homo sapiens (Human))	BDBM50504284 (CHEMBL4590079) Show SMILES COc1cccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C30H29N5O7S/c1-39-27-5-2-4-23(18-32-17-21-6-11-26(12-7-21)43(31,37)38)30(27)41-20-24-19-35(34-33-24)14-3-15-40-25-10-8-22-9-13-29(36)42-28(22)16-25/h2,4-13,16,18-19H,3,14-15,17,20H2,1H3,(H2,31,37,38)/b32-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.54E+3	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))	BDBM50504284 (CHEMBL4590079) Show SMILES COc1cccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C30H29N5O7S/c1-39-27-5-2-4-23(18-32-17-21-6-11-26(12-7-21)43(31,37)38)30(27)41-20-24-19-35(34-33-24)14-3-15-40-25-10-8-22-9-13-29(36)42-28(22)16-25/h2,4-13,16,18-19H,3,14-15,17,20H2,1H3,(H2,31,37,38)/b32-18+	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