BDBM50159745 CHEMBL3786901

SMILES: NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1

InChI Key: InChIKey=RVAKWTBISFVYTO-NSHDSACASA-N

Data: 6 KI  5 EC50

PDB links: 1 PDB ID matches 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 11 hits for monomerid = 50159745   

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
Glutamate receptor 1 (Rattus norvegicus (Rat))	BDBM50159745 (CHEMBL3786901) Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	434	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]AMPA from recombinant rat GluA1 receptor flop isoform expressed in sf9 insect cells				J Med Chem 59: 2244-54 (2016) BindingDB Entry DOI: 10.7270/Q2PK0J1R
					More data for this Ligand-Target Pair
GRIA3 (RAT)	BDBM50159745 (CHEMBL3786901) Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]AMPA from recombinant rat GluA3 receptor flop isoform expressed in sf9 insect cells				J Med Chem 59: 2244-54 (2016) BindingDB Entry DOI: 10.7270/Q2PK0J1R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, AMPA 4 (Rattus norvegicus)	BDBM50159745 (CHEMBL3786901) Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]AMPA from recombinant rat GluA4 receptor flop isoform expressed in sf9 insect cells				J Med Chem 59: 2244-54 (2016) BindingDB Entry DOI: 10.7270/Q2PK0J1R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, AMPA 2 (Rattus norvegicus)	BDBM50159745 (CHEMBL3786901) Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	8.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]AMPA from recombinant rat GluA2 receptor flop isoform expressed in sf9 insect cells				J Med Chem 59: 2244-54 (2016) BindingDB Entry DOI: 10.7270/Q2PK0J1R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ionotropic glutamate receptor kainate 2/5 (Rattus norvegicus)	BDBM50159745 (CHEMBL3786901) Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]KA from recombinant rat GluK2(V,C,R) receptor expressed in sf9 insect cells				J Med Chem 59: 2244-54 (2016) BindingDB Entry DOI: 10.7270/Q2PK0J1R
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate (Rattus norvegicus)	BDBM50159745 (CHEMBL3786901) Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]KA from recombinant rat GluK3 receptor expressed in sf9 insect cells				J Med Chem 59: 2244-54 (2016) BindingDB Entry DOI: 10.7270/Q2PK0J1R
					More data for this Ligand-Target Pair
Glutamate receptor 1 (Rattus norvegicus (Rat))	BDBM50159745 (CHEMBL3786901) Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at recombinant rat GluA1 receptor flip isoform expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay				J Med Chem 59: 2244-54 (2016) BindingDB Entry DOI: 10.7270/Q2PK0J1R
					More data for this Ligand-Target Pair
Glutamate receptor 1 (Rattus norvegicus (Rat))	BDBM50159745 (CHEMBL3786901) Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at recombinant rat GluA1 receptor flop isoform expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay				J Med Chem 59: 2244-54 (2016) BindingDB Entry DOI: 10.7270/Q2PK0J1R
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2 (Rattus norvegicus)	BDBM50159745 (CHEMBL3786901) Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	n/a	4.32E+5	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at recombinant rat GluA2(Q) receptor flip isoform expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay				J Med Chem 59: 2244-54 (2016) BindingDB Entry DOI: 10.7270/Q2PK0J1R
					More data for this Ligand-Target Pair				3D Structure (crystal)
GRIA3 (RAT)	BDBM50159745 (CHEMBL3786901) Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	n/a	4.97E+4	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at recombinant rat GluA3 receptor flip isoform expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay				J Med Chem 59: 2244-54 (2016) BindingDB Entry DOI: 10.7270/Q2PK0J1R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, AMPA 4 (Rattus norvegicus)	BDBM50159745 (CHEMBL3786901) Show SMILES NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	n/a	1.29E+5	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at recombinant rat GluA4 receptor flip isoform expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay				J Med Chem 59: 2244-54 (2016) BindingDB Entry DOI: 10.7270/Q2PK0J1R
					More data for this Ligand-Target Pair				3D Structure (crystal)