BDBM50004944 CHEMBL2380753

SMILES: [K+].[S-]C(=S)OCCC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=PBCOCTJODCDUPP-UHFFFAOYSA-M

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 = 50004944   

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))	BDBM50004944 (CHEMBL2380753) Show SMILES [K+].[S-]C(=S)OCCC12CC3CC(CC(C3)C1)C2 |TLB:10:11:9.14.8:15,THB:10:9:11.12.16:15,12:11:8:14.13.15,12:13:10.11.16:8| Show InChI InChI=1S/C13H20OS2.K/c15-12(16)14-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-11H,1-8H2,(H,15,16);/q;+1/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.40	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 recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 56: 4691-700 (2013) Article DOI: 10.1021/jm400414j BindingDB Entry DOI: 10.7270/Q2M61MSD
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50004944 (CHEMBL2380753) Show SMILES [K+].[S-]C(=S)OCCC12CC3CC(CC(C3)C1)C2 |TLB:10:11:9.14.8:15,THB:10:9:11.12.16:15,12:11:8:14.13.15,12:13:10.11.16:8| Show InChI InChI=1S/C13H20OS2.K/c15-12(16)14-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-11H,1-8H2,(H,15,16);/q;+1/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 Patents Similars	Article PubMed	59	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 recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 56: 4691-700 (2013) Article DOI: 10.1021/jm400414j BindingDB Entry DOI: 10.7270/Q2M61MSD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004944 (CHEMBL2380753) Show SMILES [K+].[S-]C(=S)OCCC12CC3CC(CC(C3)C1)C2 |TLB:10:11:9.14.8:15,THB:10:9:11.12.16:15,12:11:8:14.13.15,12:13:10.11.16:8| Show InChI InChI=1S/C13H20OS2.K/c15-12(16)14-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-11H,1-8H2,(H,15,16);/q;+1/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	737	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 recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 56: 4691-700 (2013) Article DOI: 10.1021/jm400414j BindingDB Entry DOI: 10.7270/Q2M61MSD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50004944 (CHEMBL2380753) Show SMILES [K+].[S-]C(=S)OCCC12CC3CC(CC(C3)C1)C2 |TLB:10:11:9.14.8:15,THB:10:9:11.12.16:15,12:11:8:14.13.15,12:13:10.11.16:8| Show InChI InChI=1S/C13H20OS2.K/c15-12(16)14-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-11H,1-8H2,(H,15,16);/q;+1/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 Patents Similars	Article PubMed	779	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 recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 56: 4691-700 (2013) Article DOI: 10.1021/jm400414j BindingDB Entry DOI: 10.7270/Q2M61MSD
					More data for this Ligand-Target Pair