BDBM50335099 4-chlorobenzo[d]thiazol-2-amine::CHEMBL1413383

SMILES: Nc1nc2c(Cl)cccc2s1

InChI Key: InChIKey=OEQQFQXMCPMEIH-UHFFFAOYSA-N

Data: 4 KI  2 IC50

PDB links: 2 PDB IDs match this monomer.

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 6 hits for monomerid = 50335099   

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
Pteridine reductase 1 (Leishmania major)	BDBM50335099 (4-chlorobenzo[d]thiazol-2-amine | CHEMBL1413383) Show SMILES Nc1nc2c(Cl)cccc2s1 Show InChI InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jm1010572 BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50335099 (4-chlorobenzo[d]thiazol-2-amine | CHEMBL1413383) Show SMILES Nc1nc2c(Cl)cccc2s1 Show InChI InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PDE10A2 catalytic domain expressed in Escherichia coli BL21(DE3) RIL cells using 3',5'-cGMP as substrate b...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50335099 (4-chlorobenzo[d]thiazol-2-amine | CHEMBL1413383) Show SMILES Nc1nc2c(Cl)cccc2s1 Show InChI InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IOTA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal 6xHis-tagged PDE10A (unknown origin) expressed in BL21 (DE3) RIL cells using 3',5'-cGMP as substrate by microcalorimetric as...				J Med Chem 61: 1415-1424 (2018) Article DOI: 10.1021/acs.jmedchem.7b00404 BindingDB Entry DOI: 10.7270/Q2GX4DZ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50335099 (4-chlorobenzo[d]thiazol-2-amine | CHEMBL1413383) Show SMILES Nc1nc2c(Cl)cccc2s1 Show InChI InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PDE10A2 catalytic domain expressed in Escherichia coli BL21(DE3) RIL cells using 3',5'-cGMP as substrate b...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate synthase (TS) (Leishmania major)	BDBM50335099 (4-chlorobenzo[d]thiazol-2-amine | CHEMBL1413383) Show SMILES Nc1nc2c(Cl)cccc2s1 Show InChI InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.39E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major DHFR				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jm1010572 BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335099 (4-chlorobenzo[d]thiazol-2-amine | CHEMBL1413383) Show SMILES Nc1nc2c(Cl)cccc2s1 Show InChI InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jm1010572 BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair