BDBM50329601 4-{2-Methyl-3-[(4-methylpiperazino)carbonyl]-5-(2-naphthyl)-1H-pyrrolyl-1}-benzenesulfonamide::CHEMBL1270438

SMILES: CN1CCN(CC1)C(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=QVLUHTNXKNNFFO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50329601   

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))	BDBM50329601 (4-{2-Methyl-3-[(4-methylpiperazino)carbonyl]-5-(2-...) Show SMILES CN1CCN(CC1)C(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C27H28N4O3S/c1-19-25(27(32)30-15-13-29(2)14-16-30)18-26(22-8-7-20-5-3-4-6-21(20)17-22)31(19)23-9-11-24(12-10-23)35(28,33)34/h3-12,17-18H,13-16H2,1-2H3,(H2,28,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay				Bioorg Med Chem 18: 7392-401 (2010) Article DOI: 10.1016/j.bmc.2010.09.007 BindingDB Entry DOI: 10.7270/Q23T9HGQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50329601 (4-{2-Methyl-3-[(4-methylpiperazino)carbonyl]-5-(2-...) Show SMILES CN1CCN(CC1)C(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C27H28N4O3S/c1-19-25(27(32)30-15-13-29(2)14-16-30)18-26(22-8-7-20-5-3-4-6-21(20)17-22)31(19)23-9-11-24(12-10-23)35(28,33)34/h3-12,17-18H,13-16H2,1-2H3,(H2,28,33,34)	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	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay				Bioorg Med Chem 18: 7392-401 (2010) Article DOI: 10.1016/j.bmc.2010.09.007 BindingDB Entry DOI: 10.7270/Q23T9HGQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50329601 (4-{2-Methyl-3-[(4-methylpiperazino)carbonyl]-5-(2-...) Show SMILES CN1CCN(CC1)C(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C27H28N4O3S/c1-19-25(27(32)30-15-13-29(2)14-16-30)18-26(22-8-7-20-5-3-4-6-21(20)17-22)31(19)23-9-11-24(12-10-23)35(28,33)34/h3-12,17-18H,13-16H2,1-2H3,(H2,28,33,34)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Bioorg Med Chem 18: 7392-401 (2010) Article DOI: 10.1016/j.bmc.2010.09.007 BindingDB Entry DOI: 10.7270/Q23T9HGQ
					More data for this Ligand-Target Pair