BDBM50125370 CHEMBL3623643

SMILES: COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=XIELCZGHLSBOSH-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 = 50125370   

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))	BDBM50125370 (CHEMBL3623643) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:32,t:21| Show InChI InChI=1S/C36H39N3O7S2/c1-35(2)18-28-33(30(40)20-35)32(22-7-6-8-23(17-22)38-48(44,45)27-15-11-25(46-5)12-16-27)34-29(19-36(3,4)21-31(34)41)39(28)24-9-13-26(14-10-24)47(37,42)43/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50125370 (CHEMBL3623643) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:32,t:21| Show InChI InChI=1S/C36H39N3O7S2/c1-35(2)18-28-33(30(40)20-35)32(22-7-6-8-23(17-22)38-48(44,45)27-15-11-25(46-5)12-16-27)34-29(19-36(3,4)21-31(34)41)39(28)24-9-13-26(14-10-24)47(37,42)43/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)	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	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...				Bioorg Med Chem 23: 6573-80 (2015) BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50125370 (CHEMBL3623643) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:32,t:21| Show InChI InChI=1S/C36H39N3O7S2/c1-35(2)18-28-33(30(40)20-35)32(22-7-6-8-23(17-22)38-48(44,45)27-15-11-25(46-5)12-16-27)34-29(19-36(3,4)21-31(34)41)39(28)24-9-13-26(14-10-24)47(37,42)43/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...				Bioorg Med Chem 23: 6573-80 (2015) BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50125370 (CHEMBL3623643) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O |c:32,t:21| Show InChI InChI=1S/C36H39N3O7S2/c1-35(2)18-28-33(30(40)20-35)32(22-7-6-8-23(17-22)38-48(44,45)27-15-11-25(46-5)12-16-27)34-29(19-36(3,4)21-31(34)41)39(28)24-9-13-26(14-10-24)47(37,42)43/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)	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	4.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair