Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.3 BDBM50323744

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 13 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50323744 (CHEMBL1214248 | N1,N12-Bis(trifluoroacetyl)spermin...) Show SMILES FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F Show InChI InChI=1S/C14H24F6N4O2/c15-13(16,17)11(25)23-9-3-7-21-5-1-2-6-22-8-4-10-24-12(26)14(18,19)20/h21-22H,1-10H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50323744 (CHEMBL1214248 | N1,N12-Bis(trifluoroacetyl)spermin...) Show SMILES FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F Show InChI InChI=1S/C14H24F6N4O2/c15-13(16,17)11(25)23-9-3-7-21-5-1-2-6-22-8-4-10-24-12(26)14(18,19)20/h21-22H,1-10H2,(H,23,25)(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50323744 (CHEMBL1214248 | N1,N12-Bis(trifluoroacetyl)spermin...) Show SMILES FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F Show InChI InChI=1S/C14H24F6N4O2/c15-13(16,17)11(25)23-9-3-7-21-5-1-2-6-22-8-4-10-24-12(26)14(18,19)20/h21-22H,1-10H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50323744 (CHEMBL1214248 | N1,N12-Bis(trifluoroacetyl)spermin...) Show SMILES FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F Show InChI InChI=1S/C14H24F6N4O2/c15-13(16,17)11(25)23-9-3-7-21-5-1-2-6-22-8-4-10-24-12(26)14(18,19)20/h21-22H,1-10H2,(H,23,25)(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50323744 (CHEMBL1214248 | N1,N12-Bis(trifluoroacetyl)spermin...) Show SMILES FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F Show InChI InChI=1S/C14H24F6N4O2/c15-13(16,17)11(25)23-9-3-7-21-5-1-2-6-22-8-4-10-24-12(26)14(18,19)20/h21-22H,1-10H2,(H,23,25)(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50323744 (CHEMBL1214248 | N1,N12-Bis(trifluoroacetyl)spermin...) Show SMILES FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F Show InChI InChI=1S/C14H24F6N4O2/c15-13(16,17)11(25)23-9-3-7-21-5-1-2-6-22-8-4-10-24-12(26)14(18,19)20/h21-22H,1-10H2,(H,23,25)(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50323744 (CHEMBL1214248 | N1,N12-Bis(trifluoroacetyl)spermin...) Show SMILES FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F Show InChI InChI=1S/C14H24F6N4O2/c15-13(16,17)11(25)23-9-3-7-21-5-1-2-6-22-8-4-10-24-12(26)14(18,19)20/h21-22H,1-10H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50323744 (CHEMBL1214248 | N1,N12-Bis(trifluoroacetyl)spermin...) Show SMILES FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F Show InChI InChI=1S/C14H24F6N4O2/c15-13(16,17)11(25)23-9-3-7-21-5-1-2-6-22-8-4-10-24-12(26)14(18,19)20/h21-22H,1-10H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50323744 (CHEMBL1214248 | N1,N12-Bis(trifluoroacetyl)spermin...) Show SMILES FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F Show InChI InChI=1S/C14H24F6N4O2/c15-13(16,17)11(25)23-9-3-7-21-5-1-2-6-22-8-4-10-24-12(26)14(18,19)20/h21-22H,1-10H2,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Homo sapiens (Human))	BDBM50323744 (CHEMBL1214248 | N1,N12-Bis(trifluoroacetyl)spermin...) Show SMILES FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F Show InChI InChI=1S/C14H24F6N4O2/c15-13(16,17)11(25)23-9-3-7-21-5-1-2-6-22-8-4-10-24-12(26)14(18,19)20/h21-22H,1-10H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Mus musculus (mouse))	BDBM50323744 (CHEMBL1214248 | N1,N12-Bis(trifluoroacetyl)spermin...) Show SMILES FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F Show InChI InChI=1S/C14H24F6N4O2/c15-13(16,17)11(25)23-9-3-7-21-5-1-2-6-22-8-4-10-24-12(26)14(18,19)20/h21-22H,1-10H2,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 15 (Mus musculus)	BDBM50323744 (CHEMBL1214248 | N1,N12-Bis(trifluoroacetyl)spermin...) Show SMILES FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F Show InChI InChI=1S/C14H24F6N4O2/c15-13(16,17)11(25)23-9-3-7-21-5-1-2-6-22-8-4-10-24-12(26)14(18,19)20/h21-22H,1-10H2,(H,23,25)(H,24,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50323744 (CHEMBL1214248 | N1,N12-Bis(trifluoroacetyl)spermin...) Show SMILES FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F Show InChI InChI=1S/C14H24F6N4O2/c15-13(16,17)11(25)23-9-3-7-21-5-1-2-6-22-8-4-10-24-12(26)14(18,19)20/h21-22H,1-10H2,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair