BDBM50208753 1-(2-fluoro-4-{[(4-sulfamoylphenyl)methyl]sulfamoyl}phenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methyl}thiourea::CHEMBL395734

SMILES: CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)NCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1

InChI Key: InChIKey=LEWGDIPTXPUENR-CQAGSAPUSA-N

Data: 7 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 7 hits for monomerid = 50208753   

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))	BDBM50208753 (1-(2-fluoro-4-{[(4-sulfamoylphenyl)methyl]sulfamoy...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)NCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C26H33FN4O9S3/c1-24(2)37-20-13-36-26(22(21(20)38-24)39-25(3,4)40-26)14-29-23(41)31-19-10-9-17(11-18(19)27)43(34,35)30-12-15-5-7-16(8-6-15)42(28,32)33/h5-11,20-22,30H,12-14H2,1-4H3,(H2,28,32,33)(H2,29,31,41)/t20-,21-,22+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 after 15 mins by CO2 hydration stopped flow assay				Bioorg Med Chem Lett 17: 2685-91 (2007) Article DOI: 10.1016/j.bmcl.2007.03.008 BindingDB Entry DOI: 10.7270/Q2VM4D3D
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50208753 (1-(2-fluoro-4-{[(4-sulfamoylphenyl)methyl]sulfamoy...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)NCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C26H33FN4O9S3/c1-24(2)37-20-13-36-26(22(21(20)38-24)39-25(3,4)40-26)14-29-23(41)31-19-10-9-17(11-18(19)27)43(34,35)30-12-15-5-7-16(8-6-15)42(28,32)33/h5-11,20-22,30H,12-14H2,1-4H3,(H2,28,32,33)(H2,29,31,41)/t20-,21-,22+,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 after 15 mins by CO2 hydration stopped flow assay				Bioorg Med Chem Lett 17: 2685-91 (2007) Article DOI: 10.1016/j.bmcl.2007.03.008 BindingDB Entry DOI: 10.7270/Q2VM4D3D
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50208753 (1-(2-fluoro-4-{[(4-sulfamoylphenyl)methyl]sulfamoy...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)NCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C26H33FN4O9S3/c1-24(2)37-20-13-36-26(22(21(20)38-24)39-25(3,4)40-26)14-29-23(41)31-19-10-9-17(11-18(19)27)43(34,35)30-12-15-5-7-16(8-6-15)42(28,32)33/h5-11,20-22,30H,12-14H2,1-4H3,(H2,28,32,33)(H2,29,31,41)/t20-,21-,22+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant CA7 after 15 mins by CO2 hydration stopped flow assay				Bioorg Med Chem Lett 17: 2685-91 (2007) Article DOI: 10.1016/j.bmcl.2007.03.008 BindingDB Entry DOI: 10.7270/Q2VM4D3D
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50208753 (1-(2-fluoro-4-{[(4-sulfamoylphenyl)methyl]sulfamoy...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)NCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C26H33FN4O9S3/c1-24(2)37-20-13-36-26(22(21(20)38-24)39-25(3,4)40-26)14-29-23(41)31-19-10-9-17(11-18(19)27)43(34,35)30-12-15-5-7-16(8-6-15)42(28,32)33/h5-11,20-22,30H,12-14H2,1-4H3,(H2,28,32,33)(H2,29,31,41)/t20-,21-,22+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant CA4 after 15 mins by CO2 hydration stopped flow assay				Bioorg Med Chem Lett 17: 2685-91 (2007) Article DOI: 10.1016/j.bmcl.2007.03.008 BindingDB Entry DOI: 10.7270/Q2VM4D3D
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50208753 (1-(2-fluoro-4-{[(4-sulfamoylphenyl)methyl]sulfamoy...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)NCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C26H33FN4O9S3/c1-24(2)37-20-13-36-26(22(21(20)38-24)39-25(3,4)40-26)14-29-23(41)31-19-10-9-17(11-18(19)27)43(34,35)30-12-15-5-7-16(8-6-15)42(28,32)33/h5-11,20-22,30H,12-14H2,1-4H3,(H2,28,32,33)(H2,29,31,41)/t20-,21-,22+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant CA14 after 15 mins by CO2 hydration stopped flow assay				Bioorg Med Chem Lett 17: 2685-91 (2007) Article DOI: 10.1016/j.bmcl.2007.03.008 BindingDB Entry DOI: 10.7270/Q2VM4D3D
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50208753 (1-(2-fluoro-4-{[(4-sulfamoylphenyl)methyl]sulfamoy...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)NCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C26H33FN4O9S3/c1-24(2)37-20-13-36-26(22(21(20)38-24)39-25(3,4)40-26)14-29-23(41)31-19-10-9-17(11-18(19)27)43(34,35)30-12-15-5-7-16(8-6-15)42(28,32)33/h5-11,20-22,30H,12-14H2,1-4H3,(H2,28,32,33)(H2,29,31,41)/t20-,21-,22+,26+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant CA5A after 15 mins by CO2 hydration stopped flow assay				Bioorg Med Chem Lett 17: 2685-91 (2007) Article DOI: 10.1016/j.bmcl.2007.03.008 BindingDB Entry DOI: 10.7270/Q2VM4D3D
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50208753 (1-(2-fluoro-4-{[(4-sulfamoylphenyl)methyl]sulfamoy...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)NCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C26H33FN4O9S3/c1-24(2)37-20-13-36-26(22(21(20)38-24)39-25(3,4)40-26)14-29-23(41)31-19-10-9-17(11-18(19)27)43(34,35)30-12-15-5-7-16(8-6-15)42(28,32)33/h5-11,20-22,30H,12-14H2,1-4H3,(H2,28,32,33)(H2,29,31,41)/t20-,21-,22+,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 after 15 mins by CO2 hydration stopped flow assay				Bioorg Med Chem Lett 17: 2685-91 (2007) Article DOI: 10.1016/j.bmcl.2007.03.008 BindingDB Entry DOI: 10.7270/Q2VM4D3D
					More data for this Ligand-Target Pair