BDBM50396793 CHEMBL2170079

SMILES: OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=GCWNMMYPQYXINB-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50396793   

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 12 (Homo sapiens (Human))	BDBM50396793 (CHEMBL2170079) Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50396793 (CHEMBL2170079) Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)	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	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50396793 (CHEMBL2170079) Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 measured every 5 mins for 3 hrs				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50396793 (CHEMBL2170079) Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)	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	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50396793 (CHEMBL2170079) Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair