BDBM50116362 CHEMBL3604515

SMILES: CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(N)=O

InChI Key: InChIKey=WFWQGQNDPZKGQW-INIZCTEOSA-N

Data: 4 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 4 hits for monomerid = 50116362   

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))	BDBM50116362 (CHEMBL3604515) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(N)=O |r| Show InChI InChI=1S/C18H29N3O4S2/c1-4-11-21(12-5-2)27(24,25)15-8-6-14(7-9-15)18(23)20-16(17(19)22)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H2,19,22)(H,20,23)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116362 (CHEMBL3604515) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(N)=O |r| Show InChI InChI=1S/C18H29N3O4S2/c1-4-11-21(12-5-2)27(24,25)15-8-6-14(7-9-15)18(23)20-16(17(19)22)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H2,19,22)(H,20,23)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50116362 (CHEMBL3604515) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(N)=O |r| Show InChI InChI=1S/C18H29N3O4S2/c1-4-11-21(12-5-2)27(24,25)15-8-6-14(7-9-15)18(23)20-16(17(19)22)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H2,19,22)(H,20,23)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50116362 (CHEMBL3604515) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(N)=O |r| Show InChI InChI=1S/C18H29N3O4S2/c1-4-11-21(12-5-2)27(24,25)15-8-6-14(7-9-15)18(23)20-16(17(19)22)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H2,19,22)(H,20,23)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair