BDBM50387119 4-ureidophenyl sulfamate ring derivative 3an::CHEMBL2047832

SMILES: CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1

InChI Key: InChIKey=KUYFPYCHAOODFB-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50387119   

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 1 (Homo sapiens (Human))	BDBM50387119 (4-ureidophenyl sulfamate ring derivative 3an | CHE...) Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)	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	0.818	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Romanian Academy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1				Bioorg Med Chem 21: 1404-9 (2013) Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50387119 (4-ureidophenyl sulfamate ring derivative 3an | CHE...) Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Romanian Academy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2				Bioorg Med Chem 21: 1404-9 (2013) Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50387119 (4-ureidophenyl sulfamate ring derivative 3an | CHE...) Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)	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	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Romanian Academy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9				Bioorg Med Chem 21: 1404-9 (2013) Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50387119 (4-ureidophenyl sulfamate ring derivative 3an | CHE...) Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Romanian Academy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12				Bioorg Med Chem 21: 1404-9 (2013) Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50387119 (4-ureidophenyl sulfamate ring derivative 3an | CHE...) Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay				Bioorg Med Chem Lett 22: 4681-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.083 BindingDB Entry DOI: 10.7270/Q20866C2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50387119 (4-ureidophenyl sulfamate ring derivative 3an | CHE...) Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)	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	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay				Bioorg Med Chem Lett 22: 4681-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.083 BindingDB Entry DOI: 10.7270/Q20866C2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50387119 (4-ureidophenyl sulfamate ring derivative 3an | CHE...) Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)	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	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology									J Enzyme Inhib Med Chem 29: 571-81 (2014) Article DOI: 10.3109/14756366.2013.827677 BindingDB Entry DOI: 10.7270/Q2NC5ZCQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50387119 (4-ureidophenyl sulfamate ring derivative 3an | CHE...) Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	547	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay				Bioorg Med Chem Lett 22: 4681-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.083 BindingDB Entry DOI: 10.7270/Q20866C2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50387119 (4-ureidophenyl sulfamate ring derivative 3an | CHE...) Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)	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	6.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay				Bioorg Med Chem Lett 22: 4681-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.083 BindingDB Entry DOI: 10.7270/Q20866C2
					More data for this Ligand-Target Pair