BDBM50171182 CHEMBL3805545

SMILES: COc1ccc(cc1)-c1nn(cc1\C=N/Nc1nc(cs1)-c1cc2cc(Cl)ccc2oc1=O)-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=KHDZTPNMZCTKCJ-LPEPFOFCSA-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 = 50171182   

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))	BDBM50171182 (CHEMBL3805545) Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/Nc1nc(cs1)-c1cc2cc(Cl)ccc2oc1=O)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C29H21ClN6O5S2/c1-40-22-7-2-17(3-8-22)27-19(15-36(35-27)21-5-9-23(10-6-21)43(31,38)39)14-32-34-29-33-25(16-42-29)24-13-18-12-20(30)4-11-26(18)41-28(24)37/h2-16H,1H3,(H,33,34)(H2,31,38,39)/b32-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	19	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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50171182 (CHEMBL3805545) Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/Nc1nc(cs1)-c1cc2cc(Cl)ccc2oc1=O)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C29H21ClN6O5S2/c1-40-22-7-2-17(3-8-22)27-19(15-36(35-27)21-5-9-23(10-6-21)43(31,38)39)14-32-34-29-33-25(16-42-29)24-13-18-12-20(30)4-11-26(18)41-28(24)37/h2-16H,1H3,(H,33,34)(H2,31,38,39)/b32-14-	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	20	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 12 (Homo sapiens (Human))	BDBM50171182 (CHEMBL3805545) Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/Nc1nc(cs1)-c1cc2cc(Cl)ccc2oc1=O)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C29H21ClN6O5S2/c1-40-22-7-2-17(3-8-22)27-19(15-36(35-27)21-5-9-23(10-6-21)43(31,38)39)14-32-34-29-33-25(16-42-29)24-13-18-12-20(30)4-11-26(18)41-28(24)37/h2-16H,1H3,(H,33,34)(H2,31,38,39)/b32-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25	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 1 (Homo sapiens (Human))	BDBM50171182 (CHEMBL3805545) Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/Nc1nc(cs1)-c1cc2cc(Cl)ccc2oc1=O)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C29H21ClN6O5S2/c1-40-22-7-2-17(3-8-22)27-19(15-36(35-27)21-5-9-23(10-6-21)43(31,38)39)14-32-34-29-33-25(16-42-29)24-13-18-12-20(30)4-11-26(18)41-28(24)37/h2-16H,1H3,(H,33,34)(H2,31,38,39)/b32-14-	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	315	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