BDBM50067990 CHEMBL3400814

SMILES: [Na+].[S-]C(=S)N1CCN(CC(=O)NC2CCCCC2)CC1

InChI Key: InChIKey=YCLIZXZKNNJGGF-UHFFFAOYSA-M

Data: 6 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 6 hits for monomerid = 50067990   

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))	BDBM50067990 (CHEMBL3400814) Show SMILES [Na+].[S-]C(=S)N1CCN(CC(=O)NC2CCCCC2)CC1 Show InChI InChI=1S/C13H23N3OS2/c17-12(14-11-4-2-1-3-5-11)10-15-6-8-16(9-7-15)13(18)19/h11H,1-10H2,(H,14,17)(H,18,19)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50067990 (CHEMBL3400814) Show SMILES [Na+].[S-]C(=S)N1CCN(CC(=O)NC2CCCCC2)CC1 Show InChI InChI=1S/C13H23N3OS2/c17-12(14-11-4-2-1-3-5-11)10-15-6-8-16(9-7-15)13(18)19/h11H,1-10H2,(H,14,17)(H,18,19)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human erythrocyte carbonic anhydrase 2 preincubated for 15 mins prior to testing by bromothymol blue-based stopped-flow CO2 hydration a...				Bioorg Med Chem 25: 1260-1265 (2017) Article DOI: 10.1016/j.bmc.2016.12.040 BindingDB Entry DOI: 10.7270/Q2BP04SK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50067990 (CHEMBL3400814) Show SMILES [Na+].[S-]C(=S)N1CCN(CC(=O)NC2CCCCC2)CC1 Show InChI InChI=1S/C13H23N3OS2/c17-12(14-11-4-2-1-3-5-11)10-15-6-8-16(9-7-15)13(18)19/h11H,1-10H2,(H,14,17)(H,18,19)/p-1	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	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50067990 (CHEMBL3400814) Show SMILES [Na+].[S-]C(=S)N1CCN(CC(=O)NC2CCCCC2)CC1 Show InChI InChI=1S/C13H23N3OS2/c17-12(14-11-4-2-1-3-5-11)10-15-6-8-16(9-7-15)13(18)19/h11H,1-10H2,(H,14,17)(H,18,19)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	414	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50067990 (CHEMBL3400814) Show SMILES [Na+].[S-]C(=S)N1CCN(CC(=O)NC2CCCCC2)CC1 Show InChI InChI=1S/C13H23N3OS2/c17-12(14-11-4-2-1-3-5-11)10-15-6-8-16(9-7-15)13(18)19/h11H,1-10H2,(H,14,17)(H,18,19)/p-1	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	415	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human erythrocyte carbonic anhydrase 1 preincubated for 15 mins prior to testing by bromothymol blue-based stopped-flow CO2 hydration a...				Bioorg Med Chem 25: 1260-1265 (2017) Article DOI: 10.1016/j.bmc.2016.12.040 BindingDB Entry DOI: 10.7270/Q2BP04SK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50067990 (CHEMBL3400814) Show SMILES [Na+].[S-]C(=S)N1CCN(CC(=O)NC2CCCCC2)CC1 Show InChI InChI=1S/C13H23N3OS2/c17-12(14-11-4-2-1-3-5-11)10-15-6-8-16(9-7-15)13(18)19/h11H,1-10H2,(H,14,17)(H,18,19)/p-1	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	415	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair