null

SMILES: Cc1ccc(cc1)N1CCN(CCNC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1

InChI Key: InChIKey=CGHQYGFXZZCOJG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50237176   

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))	BDBM50237176 (CHEMBL4084329) Show SMILES Cc1ccc(cc1)N1CCN(CCNC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C20H27N5O3S/c1-16-2-6-18(7-3-16)25-14-12-24(13-15-25)11-10-22-20(26)23-17-4-8-19(9-5-17)29(21,27)28/h2-9H,10-15H2,1H3,(H2,21,27,28)(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				J Med Chem 60: 2456-2469 (2017) Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50237176 (CHEMBL4084329) Show SMILES Cc1ccc(cc1)N1CCN(CCNC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C20H27N5O3S/c1-16-2-6-18(7-3-16)25-14-12-24(13-15-25)11-10-22-20(26)23-17-4-8-19(9-5-17)29(21,27)28/h2-9H,10-15H2,1H3,(H2,21,27,28)(H2,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				J Med Chem 60: 2456-2469 (2017) Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50237176 (CHEMBL4084329) Show SMILES Cc1ccc(cc1)N1CCN(CCNC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C20H27N5O3S/c1-16-2-6-18(7-3-16)25-14-12-24(13-15-25)11-10-22-20(26)23-17-4-8-19(9-5-17)29(21,27)28/h2-9H,10-15H2,1H3,(H2,21,27,28)(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from Dopamine transporter of rat caudate membranes				J Med Chem 60: 2456-2469 (2017) Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50237176 (CHEMBL4084329) Show SMILES Cc1ccc(cc1)N1CCN(CCNC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C20H27N5O3S/c1-16-2-6-18(7-3-16)25-14-12-24(13-15-25)11-10-22-20(26)23-17-4-8-19(9-5-17)29(21,27)28/h2-9H,10-15H2,1H3,(H2,21,27,28)(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				J Med Chem 60: 2456-2469 (2017) Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G
					More data for this Ligand-Target Pair