BDBM50165764 4-{4-[2-(4-methylhexahydro-1-pyrazinyl)ethylamino(thioxo)methylamino]phenylsulfonamidomethyl}-1-benzenesulfonamide::CHEMBL195194

SMILES: CN1CCN(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)NCc2ccc(cc2)S(N)(=O)=O)CC1

InChI Key: InChIKey=YMPUVGYHUXGJOU-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 = 50165764   

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))	BDBM50165764 (4-{4-[2-(4-methylhexahydro-1-pyrazinyl)ethylamino(...) Show SMILES CN1CCN(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)NCc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C21H30N6O4S3/c1-26-12-14-27(15-13-26)11-10-23-21(32)25-18-4-8-20(9-5-18)34(30,31)24-16-17-2-6-19(7-3-17)33(22,28)29/h2-9,24H,10-16H2,1H3,(H2,22,28,29)(H2,23,25,32)	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	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50165764 (4-{4-[2-(4-methylhexahydro-1-pyrazinyl)ethylamino(...) Show SMILES CN1CCN(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)NCc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C21H30N6O4S3/c1-26-12-14-27(15-13-26)11-10-23-21(32)25-18-4-8-20(9-5-18)34(30,31)24-16-17-2-6-19(7-3-17)33(22,28)29/h2-9,24H,10-16H2,1H3,(H2,22,28,29)(H2,23,25,32)	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
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50165764 (4-{4-[2-(4-methylhexahydro-1-pyrazinyl)ethylamino(...) Show SMILES CN1CCN(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)NCc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C21H30N6O4S3/c1-26-12-14-27(15-13-26)11-10-23-21(32)25-18-4-8-20(9-5-18)34(30,31)24-16-17-2-6-19(7-3-17)33(22,28)29/h2-9,24H,10-16H2,1H3,(H2,22,28,29)(H2,23,25,32)	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	246	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair