null

SMILES: COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=CWLSBWCZNQYTAO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50107367   

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))	BDBM50107367 (CHEMBL3601392) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C26H25ClN6O5S2/c1-16-25(26(27)33(30-16)19-7-13-22(14-8-19)40(29,36)37)24-15-23(17-3-9-20(38-2)10-4-17)31-32(24)18-5-11-21(12-6-18)39(28,34)35/h3-14,24H,15H2,1-2H3,(H2,28,34,35)(H2,29,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) BindingDB Entry DOI: 10.7270/Q2PC345N
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50107367 (CHEMBL3601392) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C26H25ClN6O5S2/c1-16-25(26(27)33(30-16)19-7-13-22(14-8-19)40(29,36)37)24-15-23(17-3-9-20(38-2)10-4-17)31-32(24)18-5-11-21(12-6-18)39(28,34)35/h3-14,24H,15H2,1-2H3,(H2,28,34,35)(H2,29,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) BindingDB Entry DOI: 10.7270/Q2PC345N
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50107367 (CHEMBL3601392) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C26H25ClN6O5S2/c1-16-25(26(27)33(30-16)19-7-13-22(14-8-19)40(29,36)37)24-15-23(17-3-9-20(38-2)10-4-17)31-32(24)18-5-11-21(12-6-18)39(28,34)35/h3-14,24H,15H2,1-2H3,(H2,28,34,35)(H2,29,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) BindingDB Entry DOI: 10.7270/Q2PC345N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50107367 (CHEMBL3601392) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C26H25ClN6O5S2/c1-16-25(26(27)33(30-16)19-7-13-22(14-8-19)40(29,36)37)24-15-23(17-3-9-20(38-2)10-4-17)31-32(24)18-5-11-21(12-6-18)39(28,34)35/h3-14,24H,15H2,1-2H3,(H2,28,34,35)(H2,29,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) BindingDB Entry DOI: 10.7270/Q2PC345N
					More data for this Ligand-Target Pair