BDBM50303498 1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azonia-tricyclo[3.3.1.1*3,7*]decane::CHEMBL578167

SMILES: O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1

InChI Key: InChIKey=QWVAIAADSFBBHY-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50303498   

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 XIV (Homo sapiens (Human))	BDBM50303498 (1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...) Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIII (Mus musculus (mouse))	BDBM50303498 (1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...) Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50303498 (1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...) Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50303498 (1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...) Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM50303498 (1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...) Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 15 (Mus musculus)	BDBM50303498 (1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...) Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50303498 (1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...) Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50303498 (1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...) Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50303498 (1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...) Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50303498 (1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...) Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50303498 (1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...) Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1	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	4.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM50303498 (1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...) Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50303498 (1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...) Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13| Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair