BDBM50171205 CHEMBL3805906

SMILES: C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2cc(Cl)ccc2oc1=O

InChI Key: InChIKey=VPUBWSXBPWKGOS-KEBDBYFISA-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 = 50171205   

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))	BDBM50171205 (CHEMBL3805906) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2cc(Cl)ccc2oc1=O Show InChI InChI=1S/C17H14ClN3O4S/c1-10(20-21-13-3-5-14(6-4-13)26(19,23)24)15-9-11-8-12(18)2-7-16(11)25-17(15)22/h2-9,21H,1H3,(H2,19,23,24)/b20-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50171205 (CHEMBL3805906) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2cc(Cl)ccc2oc1=O Show InChI InChI=1S/C17H14ClN3O4S/c1-10(20-21-13-3-5-14(6-4-13)26(19,23)24)15-9-11-8-12(18)2-7-16(11)25-17(15)22/h2-9,21H,1H3,(H2,19,23,24)/b20-10+	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	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50171205 (CHEMBL3805906) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2cc(Cl)ccc2oc1=O Show InChI InChI=1S/C17H14ClN3O4S/c1-10(20-21-13-3-5-14(6-4-13)26(19,23)24)15-9-11-8-12(18)2-7-16(11)25-17(15)22/h2-9,21H,1H3,(H2,19,23,24)/b20-10+	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	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50171205 (CHEMBL3805906) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2cc(Cl)ccc2oc1=O Show InChI InChI=1S/C17H14ClN3O4S/c1-10(20-21-13-3-5-14(6-4-13)26(19,23)24)15-9-11-8-12(18)2-7-16(11)25-17(15)22/h2-9,21H,1H3,(H2,19,23,24)/b20-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	758	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair