BDBM50371998 CHEMBL404372

SMILES: C[C@@H]1NC(N)=Nc2cccc(Cl)c12

InChI Key: InChIKey=XFMPGBXLGWZMQP-YFKPBYRVSA-N

Data: 9 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 9 hits for monomerid = 50371998   

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
HTR5A (RAT)	BDBM50371998 (CHEMBL404372) Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4| Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to rat 5HT5A receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50371998 (CHEMBL404372) Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4| Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT5A receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50371998 (CHEMBL404372) Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4| Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT7 receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50371998 (CHEMBL404372) Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4| Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50371998 (CHEMBL404372) Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4| Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50371998 (CHEMBL404372) Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4| Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50371998 (CHEMBL404372) Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4| Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50371998 (CHEMBL404372) Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4| Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT3 receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50371998 (CHEMBL404372) Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4| Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT1D receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair