BDBM50363547 CHEMBL607813

SMILES: COc1cccc-2c1Cc1c-2[nH]c2ccccc12

InChI Key: InChIKey=XYVGWMLAUJRXFE-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50363547   

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))	BDBM50363547 (CHEMBL607813) Show SMILES COc1cccc-2c1Cc1c-2[nH]c2ccccc12 Show InChI InChI=1S/C16H13NO/c1-18-15-8-4-6-11-12(15)9-13-10-5-2-3-7-14(10)17-16(11)13/h2-8,17H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...				Eur J Med Chem 49: 68-73 (2012) Article DOI: 10.1016/j.ejmech.2011.12.022 BindingDB Entry DOI: 10.7270/Q2N0170S
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50363547 (CHEMBL607813) Show SMILES COc1cccc-2c1Cc1c-2[nH]c2ccccc12 Show InChI InChI=1S/C16H13NO/c1-18-15-8-4-6-11-12(15)9-13-10-5-2-3-7-14(10)17-16(11)13/h2-8,17H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...				Eur J Med Chem 49: 68-73 (2012) Article DOI: 10.1016/j.ejmech.2011.12.022 BindingDB Entry DOI: 10.7270/Q2N0170S
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50363547 (CHEMBL607813) Show SMILES COc1cccc-2c1Cc1c-2[nH]c2ccccc12 Show InChI InChI=1S/C16H13NO/c1-18-15-8-4-6-11-12(15)9-13-10-5-2-3-7-14(10)17-16(11)13/h2-8,17H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...				Eur J Med Chem 49: 68-73 (2012) Article DOI: 10.1016/j.ejmech.2011.12.022 BindingDB Entry DOI: 10.7270/Q2N0170S
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50363547 (CHEMBL607813) Show SMILES COc1cccc-2c1Cc1c-2[nH]c2ccccc12 Show InChI InChI=1S/C16H13NO/c1-18-15-8-4-6-11-12(15)9-13-10-5-2-3-7-14(10)17-16(11)13/h2-8,17H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...				Eur J Med Chem 49: 68-73 (2012) Article DOI: 10.1016/j.ejmech.2011.12.022 BindingDB Entry DOI: 10.7270/Q2N0170S
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (CA III) (Bos taurus (Cattle))	BDBM50363547 (CHEMBL607813) Show SMILES COc1cccc-2c1Cc1c-2[nH]c2ccccc12 Show InChI InChI=1S/C16H13NO/c1-18-15-8-4-6-11-12(15)9-13-10-5-2-3-7-14(10)17-16(11)13/h2-8,17H,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of bovine carbonic anhydrase 3 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analys...				Eur J Med Chem 49: 68-73 (2012) Article DOI: 10.1016/j.ejmech.2011.12.022 BindingDB Entry DOI: 10.7270/Q2N0170S
					More data for this Ligand-Target Pair