BDBM50101355 (S)-4-Methylsulfanyl-2-(4-sulfamoyl-benzoylamino)-butyric acid::CHEMBL300436

SMILES: CSCC[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O

InChI Key: InChIKey=WUOPUVMWZOMQOQ-JTQLQIEISA-N

Data: 3 KI  1 Kd

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 4 hits for monomerid = 50101355   

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))	BDBM50101355 ((S)-4-Methylsulfanyl-2-(4-sulfamoyl-benzoylamino)-...) Show SMILES CSCC[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O Show InChI InChI=1S/C12H16N2O5S2/c1-20-7-6-10(12(16)17)14-11(15)8-2-4-9(5-3-8)21(13,18)19/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)(H2,13,18,19)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Binding affinity against human carbonic anhydrase II (hCA -II)				Bioorg Med Chem Lett 11: 1787-91 (2001) BindingDB Entry DOI: 10.7270/Q2K64JM5
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50101355 ((S)-4-Methylsulfanyl-2-(4-sulfamoyl-benzoylamino)-...) Show SMILES CSCC[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O Show InChI InChI=1S/C12H16N2O5S2/c1-20-7-6-10(12(16)17)14-11(15)8-2-4-9(5-3-8)21(13,18)19/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)(H2,13,18,19)/t10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)				Bioorg Med Chem Lett 11: 1787-91 (2001) BindingDB Entry DOI: 10.7270/Q2K64JM5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50101355 ((S)-4-Methylsulfanyl-2-(4-sulfamoyl-benzoylamino)-...) Show SMILES CSCC[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O Show InChI InChI=1S/C12H16N2O5S2/c1-20-7-6-10(12(16)17)14-11(15)8-2-4-9(5-3-8)21(13,18)19/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)(H2,13,18,19)/t10-/m0/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	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Binding affinity against human carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 11: 1787-91 (2001) BindingDB Entry DOI: 10.7270/Q2K64JM5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50101355 ((S)-4-Methylsulfanyl-2-(4-sulfamoyl-benzoylamino)-...) Show SMILES CSCC[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O Show InChI InChI=1S/C12H16N2O5S2/c1-20-7-6-10(12(16)17)14-11(15)8-2-4-9(5-3-8)21(13,18)19/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)(H2,13,18,19)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant against human carbonic anhydrase II at 37 degree centigrade				Bioorg Med Chem Lett 6: 559-564 (1996) Article DOI: 10.1016/0960-894X(96)00069-8 BindingDB Entry DOI: 10.7270/Q2V124SF
					More data for this Ligand-Target Pair