BDBM50079041 4,5-Dichloro-6-(5,7-dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-benzene-1,3-disulfonic acid diamide::BDBM50222602::CHEMBL432818

SMILES: NS(=O)(=O)c1cc(c(N2C(=O)c3cccnc3C2=O)c(Cl)c1Cl)S(N)(=O)=O

InChI Key: InChIKey=LPDIMBQYYZPCHL-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50079041   

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))	BDBM50079041 (4,5-Dichloro-6-(5,7-dioxo-5,7-dihydro-pyrrolo[3,4-...) Show SMILES NS(=O)(=O)c1cc(c(N2C(=O)c3cccnc3C2=O)c(Cl)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C13H8Cl2N4O6S2/c14-8-6(26(16,22)23)4-7(27(17,24)25)11(9(8)15)19-12(20)5-2-1-3-18-10(5)13(19)21/h1-4H,(H2,16,22,23)(H2,17,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase II (hCA II,cytosolic form).				J Med Chem 42: 2641-50 (1999) Article DOI: 10.1021/jm9900523 BindingDB Entry DOI: 10.7270/Q2J67HMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50079041 (4,5-Dichloro-6-(5,7-dioxo-5,7-dihydro-pyrrolo[3,4-...) Show SMILES NS(=O)(=O)c1cc(c(N2C(=O)c3cccnc3C2=O)c(Cl)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C13H8Cl2N4O6S2/c14-8-6(26(16,22)23)4-7(27(17,24)25)11(9(8)15)19-12(20)5-2-1-3-18-10(5)13(19)21/h1-4H,(H2,16,22,23)(H2,17,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.P.S. University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase II (CAII)				Bioorg Med Chem Lett 13: 447-53 (2003) BindingDB Entry DOI: 10.7270/Q2668GC9
					More data for this Ligand-Target Pair
Carbonic anhydrase (Bos taurus (bovine))	BDBM50079041 (4,5-Dichloro-6-(5,7-dioxo-5,7-dihydro-pyrrolo[3,4-...) Show SMILES NS(=O)(=O)c1cc(c(N2C(=O)c3cccnc3C2=O)c(Cl)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C13H8Cl2N4O6S2/c14-8-6(26(16,22)23)4-7(27(17,24)25)11(9(8)15)19-12(20)5-2-1-3-18-10(5)13(19)21/h1-4H,(H2,16,22,23)(H2,17,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.P.S. University Curated by ChEMBL					Assay Description Inhibition of bovine carbonic anhydrase IV (CAIV)				Bioorg Med Chem Lett 13: 447-53 (2003) BindingDB Entry DOI: 10.7270/Q2668GC9
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50079041 (4,5-Dichloro-6-(5,7-dioxo-5,7-dihydro-pyrrolo[3,4-...) Show SMILES NS(=O)(=O)c1cc(c(N2C(=O)c3cccnc3C2=O)c(Cl)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C13H8Cl2N4O6S2/c14-8-6(26(16,22)23)4-7(27(17,24)25)11(9(8)15)19-12(20)5-2-1-3-18-10(5)13(19)21/h1-4H,(H2,16,22,23)(H2,17,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).				J Med Chem 42: 2641-50 (1999) Article DOI: 10.1021/jm9900523 BindingDB Entry DOI: 10.7270/Q2J67HMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50079041 (4,5-Dichloro-6-(5,7-dioxo-5,7-dihydro-pyrrolo[3,4-...) Show SMILES NS(=O)(=O)c1cc(c(N2C(=O)c3cccnc3C2=O)c(Cl)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C13H8Cl2N4O6S2/c14-8-6(26(16,22)23)4-7(27(17,24)25)11(9(8)15)19-12(20)5-2-1-3-18-10(5)13(19)21/h1-4H,(H2,16,22,23)(H2,17,24,25)	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	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.P.S. University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase I (CAI)				Bioorg Med Chem Lett 13: 447-53 (2003) BindingDB Entry DOI: 10.7270/Q2668GC9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50079041 (4,5-Dichloro-6-(5,7-dioxo-5,7-dihydro-pyrrolo[3,4-...) Show SMILES NS(=O)(=O)c1cc(c(N2C(=O)c3cccnc3C2=O)c(Cl)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C13H8Cl2N4O6S2/c14-8-6(26(16,22)23)4-7(27(17,24)25)11(9(8)15)19-12(20)5-2-1-3-18-10(5)13(19)21/h1-4H,(H2,16,22,23)(H2,17,24,25)	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	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of human cloned Carbonic anhydrase I (hCA I,cytosolic form)				J Med Chem 42: 2641-50 (1999) Article DOI: 10.1021/jm9900523 BindingDB Entry DOI: 10.7270/Q2J67HMK
					More data for this Ligand-Target Pair