BDBM50329604 CHEMBL1270632::N-[2-(4-Methylpiperazino)ethyl]-1-[4-(aminosulfonyl)-phenyl]-2-methyl-5-(2-naphthyl)-1H-pyrrole-3-carboxamide

SMILES: CN1CCN(CCNC(=O)c2cc(-c3ccc4ccccc4c3)n(c2C)-c2ccc(cc2)S(N)(=O)=O)CC1

InChI Key: InChIKey=BPTSKIQPUKLKRH-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 = 50329604   

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))	BDBM50329604 (CHEMBL1270632 | N-[2-(4-Methylpiperazino)ethyl]-1-...) Show SMILES CN1CCN(CCNC(=O)c2cc(-c3ccc4ccccc4c3)n(c2C)-c2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C29H33N5O3S/c1-21-27(29(35)31-13-14-33-17-15-32(2)16-18-33)20-28(24-8-7-22-5-3-4-6-23(22)19-24)34(21)25-9-11-26(12-10-25)38(30,36)37/h3-12,19-20H,13-18H2,1-2H3,(H,31,35)(H2,30,36,37)	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	126	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))	BDBM50329604 (CHEMBL1270632 | N-[2-(4-Methylpiperazino)ethyl]-1-...) Show SMILES CN1CCN(CCNC(=O)c2cc(-c3ccc4ccccc4c3)n(c2C)-c2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C29H33N5O3S/c1-21-27(29(35)31-13-14-33-17-15-32(2)16-18-33)20-28(24-8-7-22-5-3-4-6-23(22)19-24)34(21)25-9-11-26(12-10-25)38(30,36)37/h3-12,19-20H,13-18H2,1-2H3,(H,31,35)(H2,30,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	196	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))	BDBM50329604 (CHEMBL1270632 | N-[2-(4-Methylpiperazino)ethyl]-1-...) Show SMILES CN1CCN(CCNC(=O)c2cc(-c3ccc4ccccc4c3)n(c2C)-c2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C29H33N5O3S/c1-21-27(29(35)31-13-14-33-17-15-32(2)16-18-33)20-28(24-8-7-22-5-3-4-6-23(22)19-24)34(21)25-9-11-26(12-10-25)38(30,36)37/h3-12,19-20H,13-18H2,1-2H3,(H,31,35)(H2,30,36,37)	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	2.49E+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