Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 402.5 BDBM50184773Purchase

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))	BDBM50184773 ((3-amino-propyl)-{4-[(3-amino-propyl)-tert-butoxyc...) Show SMILES CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H42N4O4/c1-19(2,3)27-17(25)23(15-9-11-21)13-7-8-14-24(16-10-12-22)18(26)28-20(4,5)6/h7-16,21-22H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.03E+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 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))	BDBM50184773 ((3-amino-propyl)-{4-[(3-amino-propyl)-tert-butoxyc...) Show SMILES CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H42N4O4/c1-19(2,3)27-17(25)23(15-9-11-21)13-7-8-14-24(16-10-12-22)18(26)28-20(4,5)6/h7-16,21-22H2,1-6H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.07E+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 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))	BDBM50184773 ((3-amino-propyl)-{4-[(3-amino-propyl)-tert-butoxyc...) Show SMILES CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H42N4O4/c1-19(2,3)27-17(25)23(15-9-11-21)13-7-8-14-24(16-10-12-22)18(26)28-20(4,5)6/h7-16,21-22H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.08E+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 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 2 (Homo sapiens (Human))	BDBM50184773 ((3-amino-propyl)-{4-[(3-amino-propyl)-tert-butoxyc...) Show SMILES CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H42N4O4/c1-19(2,3)27-17(25)23(15-9-11-21)13-7-8-14-24(16-10-12-22)18(26)28-20(4,5)6/h7-16,21-22H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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 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 6 (Homo sapiens (Human))	BDBM50184773 ((3-amino-propyl)-{4-[(3-amino-propyl)-tert-butoxyc...) Show SMILES CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H42N4O4/c1-19(2,3)27-17(25)23(15-9-11-21)13-7-8-14-24(16-10-12-22)18(26)28-20(4,5)6/h7-16,21-22H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.14E+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 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 14 (Homo sapiens (Human))	BDBM50184773 ((3-amino-propyl)-{4-[(3-amino-propyl)-tert-butoxyc...) Show SMILES CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H42N4O4/c1-19(2,3)27-17(25)23(15-9-11-21)13-7-8-14-24(16-10-12-22)18(26)28-20(4,5)6/h7-16,21-22H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.15E+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 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 5A, mitochondrial (Homo sapiens (Human))	BDBM50184773 ((3-amino-propyl)-{4-[(3-amino-propyl)-tert-butoxyc...) Show SMILES CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H42N4O4/c1-19(2,3)27-17(25)23(15-9-11-21)13-7-8-14-24(16-10-12-22)18(26)28-20(4,5)6/h7-16,21-22H2,1-6H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.31E+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 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 3 (Homo sapiens (Human))	BDBM50184773 ((3-amino-propyl)-{4-[(3-amino-propyl)-tert-butoxyc...) Show SMILES CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H42N4O4/c1-19(2,3)27-17(25)23(15-9-11-21)13-7-8-14-24(16-10-12-22)18(26)28-20(4,5)6/h7-16,21-22H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.32E+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 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))	BDBM50184773 ((3-amino-propyl)-{4-[(3-amino-propyl)-tert-butoxyc...) Show SMILES CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H42N4O4/c1-19(2,3)27-17(25)23(15-9-11-21)13-7-8-14-24(16-10-12-22)18(26)28-20(4,5)6/h7-16,21-22H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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 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 1 (Homo sapiens (Human))	BDBM50184773 ((3-amino-propyl)-{4-[(3-amino-propyl)-tert-butoxyc...) Show SMILES CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H42N4O4/c1-19(2,3)27-17(25)23(15-9-11-21)13-7-8-14-24(16-10-12-22)18(26)28-20(4,5)6/h7-16,21-22H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.37E+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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50184773 ((3-amino-propyl)-{4-[(3-amino-propyl)-tert-butoxyc...) Show SMILES CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H42N4O4/c1-19(2,3)27-17(25)23(15-9-11-21)13-7-8-14-24(16-10-12-22)18(26)28-20(4,5)6/h7-16,21-22H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.44E+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 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 12 (Homo sapiens (Human))	BDBM50184773 ((3-amino-propyl)-{4-[(3-amino-propyl)-tert-butoxyc...) Show SMILES CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H42N4O4/c1-19(2,3)27-17(25)23(15-9-11-21)13-7-8-14-24(16-10-12-22)18(26)28-20(4,5)6/h7-16,21-22H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.65E+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 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 15 (Mus musculus)	BDBM50184773 ((3-amino-propyl)-{4-[(3-amino-propyl)-tert-butoxyc...) Show SMILES CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H42N4O4/c1-19(2,3)27-17(25)23(15-9-11-21)13-7-8-14-24(16-10-12-22)18(26)28-20(4,5)6/h7-16,21-22H2,1-6H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.36E+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 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