BDBM50230939 CHEMBL4067135

SMILES: Cc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1

InChI Key: InChIKey=ITABQQJKHWJXOZ-UHFFFAOYSA-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 = 50230939   

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 4 (Homo sapiens (Human))	BDBM50230939 (CHEMBL4067135) Show SMILES Cc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C17H17N3O3S/c1-11-2-7-15-14(10-11)16(17(21)20-15)19-9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50230939 (CHEMBL4067135) Show SMILES Cc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C17H17N3O3S/c1-11-2-7-15-14(10-11)16(17(21)20-15)19-9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50230939 (CHEMBL4067135) Show SMILES Cc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C17H17N3O3S/c1-11-2-7-15-14(10-11)16(17(21)20-15)19-9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50230939 (CHEMBL4067135) Show SMILES Cc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C17H17N3O3S/c1-11-2-7-15-14(10-11)16(17(21)20-15)19-9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)	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	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair