BDBM50366101 CHEMBL1955879

SMILES: Oc1ccc2ccc(=S)oc2c1

InChI Key: InChIKey=XUMJTYZMTAEULK-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50366101   

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 12 (Homo sapiens (Human))	BDBM50366101 (CHEMBL1955879) Show SMILES Oc1ccc2ccc(=S)oc2c1 Show InChI InChI=1S/C9H6O2S/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5,10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	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 carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay				J Med Chem 59: 462-73 (2016) BindingDB Entry DOI: 10.7270/Q2P2710K
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50366101 (CHEMBL1955879) Show SMILES Oc1ccc2ccc(=S)oc2c1 Show InChI InChI=1S/C9H6O2S/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5,10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	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 carbonic anhydrase 12 after 6 hrs by stop-flow CO2 hydration assay				Bioorg Med Chem 20: 2266-73 (2012) Article DOI: 10.1016/j.bmc.2012.02.014 BindingDB Entry DOI: 10.7270/Q2P26ZK0
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366101 (CHEMBL1955879) Show SMILES Oc1ccc2ccc(=S)oc2c1 Show InChI InChI=1S/C9H6O2S/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5,10H	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	780	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 carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay				J Med Chem 59: 462-73 (2016) BindingDB Entry DOI: 10.7270/Q2P2710K
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366101 (CHEMBL1955879) Show SMILES Oc1ccc2ccc(=S)oc2c1 Show InChI InChI=1S/C9H6O2S/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5,10H	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	780	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 carbonic anhydrase 9 after 6 hrs by stop-flow CO2 hydration assay				Bioorg Med Chem 20: 2266-73 (2012) Article DOI: 10.1016/j.bmc.2012.02.014 BindingDB Entry DOI: 10.7270/Q2P26ZK0
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50366101 (CHEMBL1955879) Show SMILES Oc1ccc2ccc(=S)oc2c1 Show InChI InChI=1S/C9H6O2S/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5,10H	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	8.02E+3	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 carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay				J Med Chem 59: 462-73 (2016) BindingDB Entry DOI: 10.7270/Q2P2710K
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50366101 (CHEMBL1955879) Show SMILES Oc1ccc2ccc(=S)oc2c1 Show InChI InChI=1S/C9H6O2S/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5,10H	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	8.02E+3	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 carbonic anhydrase 1 after 6 hrs by stop-flow CO2 hydration assay				Bioorg Med Chem 20: 2266-73 (2012) Article DOI: 10.1016/j.bmc.2012.02.014 BindingDB Entry DOI: 10.7270/Q2P26ZK0
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366101 (CHEMBL1955879) Show SMILES Oc1ccc2ccc(=S)oc2c1 Show InChI InChI=1S/C9H6O2S/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5,10H	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+5	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 carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay				J Med Chem 59: 462-73 (2016) BindingDB Entry DOI: 10.7270/Q2P2710K
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366101 (CHEMBL1955879) Show SMILES Oc1ccc2ccc(=S)oc2c1 Show InChI InChI=1S/C9H6O2S/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5,10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	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 carbonic anhydrase 2 after 6 hrs by stop-flow CO2 hydration assay				Bioorg Med Chem 20: 2266-73 (2012) Article DOI: 10.1016/j.bmc.2012.02.014 BindingDB Entry DOI: 10.7270/Q2P26ZK0
					More data for this Ligand-Target Pair