BDBM50288870 2-(2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]-acetylamino}-acetylamino)-hexanoic acid::CHEMBL2371090

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

InChI Key: InChIKey=FDSLQEJWWLSOPO-AWEZNQCLSA-N

Data: 2 Kd  1 K_off  1 K_on

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 = 50288870   

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))	BDBM50288870 (2-(2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]...) Show SMILES CCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r| Show InChI InChI=1S/C19H27N5O8S/c1-2-3-4-14(19(29)30)24-17(27)11-22-15(25)9-21-16(26)10-23-18(28)12-5-7-13(8-6-12)33(20,31)32/h5-8,14H,2-4,9-11H2,1H3,(H,21,26)(H,22,25)(H,23,28)(H,24,27)(H,29,30)(H2,20,31,32)/t14-/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	n/a	n/a	0.0930	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic constant for binding human carbonic anhydrase II				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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50288870 (2-(2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]...) Show SMILES CCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r| Show InChI InChI=1S/C19H27N5O8S/c1-2-3-4-14(19(29)30)24-17(27)11-22-15(25)9-21-16(26)10-23-18(28)12-5-7-13(8-6-12)33(20,31)32/h5-8,14H,2-4,9-11H2,1H3,(H,21,26)(H,22,25)(H,23,28)(H,24,27)(H,29,30)(H2,20,31,32)/t14-/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	n/a	n/a	n/a	4.20E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic constant for binding human carbonic anhydrase II (Kon=Kd x Koff)				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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50288870 (2-(2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]...) Show SMILES CCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r| Show InChI InChI=1S/C19H27N5O8S/c1-2-3-4-14(19(29)30)24-17(27)11-22-15(25)9-21-16(26)10-23-18(28)12-5-7-13(8-6-12)33(20,31)32/h5-8,14H,2-4,9-11H2,1H3,(H,21,26)(H,22,25)(H,23,28)(H,24,27)(H,29,30)(H2,20,31,32)/t14-/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	190	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic constant for binding human carbonic anhydrase II (Kon=Kd x Koff)				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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50288870 (2-(2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]...) Show SMILES CCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r| Show InChI InChI=1S/C19H27N5O8S/c1-2-3-4-14(19(29)30)24-17(27)11-22-15(25)9-21-16(26)10-23-18(28)12-5-7-13(8-6-12)33(20,31)32/h5-8,14H,2-4,9-11H2,1H3,(H,21,26)(H,22,25)(H,23,28)(H,24,27)(H,29,30)(H2,20,31,32)/t14-/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	220	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic constant for binding human carbonic anhydrase II				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