BDBM11050 N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]-3-[(2-{[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]carbamoyl}ethyl)disulfanyl]propanamide::N-[(2E)-5-(aminosulfonyl)-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-[(3-{[(2E)-5-(aminosulfonyl)-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]amino}-3-oxopropyl)dithio]propanamide::disulfide-containing sulfonamide 4

SMILES: Cn1nc(sc1=NC(=O)CCSSCCC(=O)N=c1sc(nn1C)S(N)(=O)=O)S(N)(=O)=O

InChI Key: InChIKey=LFMCGFGEHHNOOT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 11050   

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 9 (Homo sapiens (Human))	BDBM11050 (N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thi...) Show SMILES Cn1nc(sc1=NC(=O)CCSSCCC(=O)N=c1sc(nn1C)S(N)(=O)=O)S(N)(=O)=O |w:6.7,17.17| Show InChI InChI=1S/C12H18N8O6S6/c1-19-9(29-11(17-19)31(13,23)24)15-7(21)3-5-27-28-6-4-8(22)16-10-20(2)18-12(30-10)32(14,25)26/h3-6H2,1-2H3,(H2,13,23,24)(H2,14,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 5544-51 (2006) Article DOI: 10.1021/jm060531j BindingDB Entry DOI: 10.7270/Q21J9805
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM11050 (N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thi...) Show SMILES Cn1nc(sc1=NC(=O)CCSSCCC(=O)N=c1sc(nn1C)S(N)(=O)=O)S(N)(=O)=O |w:6.7,17.17| Show InChI InChI=1S/C12H18N8O6S6/c1-19-9(29-11(17-19)31(13,23)24)15-7(21)3-5-27-28-6-4-8(22)16-10-20(2)18-12(30-10)32(14,25)26/h3-6H2,1-2H3,(H2,13,23,24)(H2,14,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	41	-9.97	n/a	n/a	n/a	n/a	n/a	7.5	22
Istituto di Biostrutture e Bioimmagini-CNR					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 5544-51 (2006) Article DOI: 10.1021/jm060531j BindingDB Entry DOI: 10.7270/Q21J9805
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11050 (N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thi...) Show SMILES Cn1nc(sc1=NC(=O)CCSSCCC(=O)N=c1sc(nn1C)S(N)(=O)=O)S(N)(=O)=O |w:6.7,17.17| Show InChI InChI=1S/C12H18N8O6S6/c1-19-9(29-11(17-19)31(13,23)24)15-7(21)3-5-27-28-6-4-8(22)16-10-20(2)18-12(30-10)32(14,25)26/h3-6H2,1-2H3,(H2,13,23,24)(H2,14,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 5544-51 (2006) Article DOI: 10.1021/jm060531j BindingDB Entry DOI: 10.7270/Q21J9805
					More data for this Ligand-Target Pair