BDBM50329587 4-[2-Methyl-3-[(4-methylpiperazino)carbonyl]-5-(4-biphenylyl)-1H-1-pyrrolyl]-1-benzenesulfonamide::CHEMBL1271041

SMILES: CN1CCN(CC1)C(=O)c1cc(-c2ccc(cc2)-c2ccccc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=VKJNWDURLKJQDK-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 = 50329587   

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 9 (Homo sapiens (Human))	BDBM50329587 (4-[2-Methyl-3-[(4-methylpiperazino)carbonyl]-5-(4-...) Show SMILES CN1CCN(CC1)C(=O)c1cc(-c2ccc(cc2)-c2ccccc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C29H30N4O3S/c1-21-27(29(34)32-18-16-31(2)17-19-32)20-28(33(21)25-12-14-26(15-13-25)37(30,35)36)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-15,20H,16-19H2,1-2H3,(H2,30,35,36)	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	68	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 2 (Homo sapiens (Human))	BDBM50329587 (4-[2-Methyl-3-[(4-methylpiperazino)carbonyl]-5-(4-...) Show SMILES CN1CCN(CC1)C(=O)c1cc(-c2ccc(cc2)-c2ccccc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C29H30N4O3S/c1-21-27(29(34)32-18-16-31(2)17-19-32)20-28(33(21)25-12-14-26(15-13-25)37(30,35)36)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-15,20H,16-19H2,1-2H3,(H2,30,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	538	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 1 (Homo sapiens (Human))	BDBM50329587 (4-[2-Methyl-3-[(4-methylpiperazino)carbonyl]-5-(4-...) Show SMILES CN1CCN(CC1)C(=O)c1cc(-c2ccc(cc2)-c2ccccc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C29H30N4O3S/c1-21-27(29(34)32-18-16-31(2)17-19-32)20-28(33(21)25-12-14-26(15-13-25)37(30,35)36)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-15,20H,16-19H2,1-2H3,(H2,30,35,36)	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	7.09E+3	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