BDBM50019394 CHEMBL3290056

SMILES: O=c1ccc(cc2ccccc12)C#N

InChI Key: InChIKey=XPGMCEAOWJBCNN-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 = 50019394   

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))	BDBM50019394 (CHEMBL3290056) Show SMILES O=c1ccc(cc2ccccc12)C#N Show InChI InChI=1S/C12H7NO/c13-8-9-5-6-12(14)11-4-2-1-3-10(11)7-9/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of human cytosolic CA-2 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer				Bioorg Med Chem 22: 3537-43 (2014) Article DOI: 10.1016/j.bmc.2014.04.007 BindingDB Entry DOI: 10.7270/Q2Z60QM4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50019394 (CHEMBL3290056) Show SMILES O=c1ccc(cc2ccccc12)C#N Show InChI InChI=1S/C12H7NO/c13-8-9-5-6-12(14)11-4-2-1-3-10(11)7-9/h1-7H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of human cytosolic CA-1 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer				Bioorg Med Chem 22: 3537-43 (2014) Article DOI: 10.1016/j.bmc.2014.04.007 BindingDB Entry DOI: 10.7270/Q2Z60QM4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50019394 (CHEMBL3290056) Show SMILES O=c1ccc(cc2ccccc12)C#N Show InChI InChI=1S/C12H7NO/c13-8-9-5-6-12(14)11-4-2-1-3-10(11)7-9/h1-7H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of human cytosolic CA-1 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer				Bioorg Med Chem 22: 3537-43 (2014) Article DOI: 10.1016/j.bmc.2014.04.007 BindingDB Entry DOI: 10.7270/Q2Z60QM4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50019394 (CHEMBL3290056) Show SMILES O=c1ccc(cc2ccccc12)C#N Show InChI InChI=1S/C12H7NO/c13-8-9-5-6-12(14)11-4-2-1-3-10(11)7-9/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of human cytosolic CA-2 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer				Bioorg Med Chem 22: 3537-43 (2014) Article DOI: 10.1016/j.bmc.2014.04.007 BindingDB Entry DOI: 10.7270/Q2Z60QM4
					More data for this Ligand-Target Pair