BDBM50019399 CHEMBL3290054

SMILES: N#CC1=CCc2ccccc2C=C1

InChI Key: InChIKey=ANCMIMQSRFCTAE-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 = 50019399   

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))	BDBM50019399 (CHEMBL3290054) Show SMILES N#CC1=CCc2ccccc2C=C1 |c:12,t:2| Show InChI InChI=1S/C12H9N/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10/h1-7H,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.23E+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))	BDBM50019399 (CHEMBL3290054) Show SMILES N#CC1=CCc2ccccc2C=C1 |c:12,t:2| Show InChI InChI=1S/C12H9N/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10/h1-7H,8H2	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	4.06E+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 2 (Homo sapiens (Human))	BDBM50019399 (CHEMBL3290054) Show SMILES N#CC1=CCc2ccccc2C=C1 |c:12,t:2| Show InChI InChI=1S/C12H9N/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10/h1-7H,8H2	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	4.38E+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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50019399 (CHEMBL3290054) Show SMILES N#CC1=CCc2ccccc2C=C1 |c:12,t:2| Show InChI InChI=1S/C12H9N/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10/h1-7H,8H2	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	4.52E+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