BDBM50130742 CHEMBL3633552

SMILES: COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3N)-c3ccc(cc3)S(N)(=O)=O)c2c1

InChI Key: InChIKey=KOQXOIGEFGOQQD-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 = 50130742   

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 9 (Homo sapiens (Human))	BDBM50130742 (CHEMBL3633552) Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3N)-c3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C19H17N7O5S/c1-31-11-4-7-15-13(8-11)16(19(28)23-15)24-25-18(27)14-9-22-26(17(14)20)10-2-5-12(6-3-10)32(21,29)30/h2-9H,20H2,1H3,(H,25,27)(H2,21,29,30)(H,23,24,28)	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) BindingDB Entry DOI: 10.7270/Q2HH6MX8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50130742 (CHEMBL3633552) Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3N)-c3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C19H17N7O5S/c1-31-11-4-7-15-13(8-11)16(19(28)23-15)24-25-18(27)14-9-22-26(17(14)20)10-2-5-12(6-3-10)32(21,29)30/h2-9H,20H2,1H3,(H,25,27)(H2,21,29,30)(H,23,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) BindingDB Entry DOI: 10.7270/Q2HH6MX8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50130742 (CHEMBL3633552) Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3N)-c3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C19H17N7O5S/c1-31-11-4-7-15-13(8-11)16(19(28)23-15)24-25-18(27)14-9-22-26(17(14)20)10-2-5-12(6-3-10)32(21,29)30/h2-9H,20H2,1H3,(H,25,27)(H2,21,29,30)(H,23,24,28)	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	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) BindingDB Entry DOI: 10.7270/Q2HH6MX8
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50130742 (CHEMBL3633552) Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3N)-c3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C19H17N7O5S/c1-31-11-4-7-15-13(8-11)16(19(28)23-15)24-25-18(27)14-9-22-26(17(14)20)10-2-5-12(6-3-10)32(21,29)30/h2-9H,20H2,1H3,(H,25,27)(H2,21,29,30)(H,23,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) BindingDB Entry DOI: 10.7270/Q2HH6MX8
					More data for this Ligand-Target Pair