BDBM50028970 6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2-diol::CA inhibitor, 4::CHEMBL163912

SMILES: NC1CCc2c(C1)ccc(O)c2O

InChI Key: InChIKey=FSMRTTIHBZCVJG-UHFFFAOYSA-N

Data: 3 KI  1 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 = 50028970   

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))	BDBM50028970 (6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2-diol | ...) Show SMILES NC1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C10H13NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1,4,7,12-13H,2-3,5,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	380	-8.75	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50028970 (6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2-diol | ...) Show SMILES NC1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C10H13NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1,4,7,12-13H,2-3,5,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	970	-8.20	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50028970 (6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2-diol | ...) Show SMILES NC1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C10H13NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1,4,7,12-13H,2-3,5,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.51E+4	-5.92	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50028970 (6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2-diol | ...) Show SMILES NC1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C10H13NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1,4,7,12-13H,2-3,5,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Crete Curated by ChEMBL					Assay Description Inhibitition of binding of [3H]-spiroperidol to Dopamine receptor D2 in rat striatal membranes				Bioorg Med Chem Lett 11: 883-6 (2001) BindingDB Entry DOI: 10.7270/Q2XD10XM
					More data for this Ligand-Target Pair