BDBM50352645 CHEMBL1822701

SMILES: CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1

InChI Key: InChIKey=ASDLWBSDLJPGLD-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50352645   

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 XIV (Homo sapiens (Human))	BDBM50352645 (CHEMBL1822701) Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1 Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 14 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50352645 (CHEMBL1822701) Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1 Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	7.5	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 at pH 7.5 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50352645 (CHEMBL1822701) Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1 Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)	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	10.2	n/a	n/a	n/a	n/a	n/a	n/a	7.5	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 at pH 7.5 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50352645 (CHEMBL1822701) Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1 Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.9	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM50352645 (CHEMBL1822701) Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1 Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	513	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5B preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50352645 (CHEMBL1822701) Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1 Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	515	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 13 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50352645 (CHEMBL1822701) Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1 Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)	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	714	n/a	n/a	n/a	n/a	n/a	n/a	7.5	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 at pH 7.5 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50352645 (CHEMBL1822701) Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1 Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	7.5	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 at pH 7.5 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50352645 (CHEMBL1822701) Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1 Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50352645 (CHEMBL1822701) Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1 Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5A preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3
					More data for this Ligand-Target Pair
beta-Carbonic Anhydrase (Candida albicans (Yeast))	BDBM50352645 (CHEMBL1822701) Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1 Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of Candida albicans carbonic anhydrase preincubated for 15 mins at pH 8.3 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50352645 (CHEMBL1822701) Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1 Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM50352645 (CHEMBL1822701) Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1 Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 3 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3
					More data for this Ligand-Target Pair