BDBM50474796 CHEMBL64941

SMILES: Oc1ccc2[nH]c(CN3CCC(Cc4ccc(F)cc4)CC3)nc2c1

InChI Key: InChIKey=PAFKHYPPLMSWPU-UHFFFAOYSA-N

Data: 2 KI  4 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 6 hits for monomerid = 50474796   

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
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50474796 (CHEMBL64941) Show SMILES Oc1ccc2[nH]c(CN3CCC(Cc4ccc(F)cc4)CC3)nc2c1 Show InChI InChI=1S/C20H22FN3O/c21-16-3-1-14(2-4-16)11-15-7-9-24(10-8-15)13-20-22-18-6-5-17(25)12-19(18)23-20/h1-6,12,15,25H,7-11,13H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50474796 (CHEMBL64941) Show SMILES Oc1ccc2[nH]c(CN3CCC(Cc4ccc(F)cc4)CC3)nc2c1 Show InChI InChI=1S/C20H22FN3O/c21-16-3-1-14(2-4-16)11-15-7-9-24(10-8-15)13-20-22-18-6-5-17(25)12-19(18)23-20/h1-6,12,15,25H,7-11,13H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
I2BM Curated by ChEMBL					Assay Description Binding affinity to NR1/NR2B receptor				Eur J Med Chem 46: 2295-309 (2011) Article DOI: 10.1016/j.ejmech.2011.03.013 BindingDB Entry DOI: 10.7270/Q2M32ZMN
					More data for this Ligand-Target Pair
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50474796 (CHEMBL64941) Show SMILES Oc1ccc2[nH]c(CN3CCC(Cc4ccc(F)cc4)CC3)nc2c1 Show InChI InChI=1S/C20H22FN3O/c21-16-3-1-14(2-4-16)11-15-7-9-24(10-8-15)13-20-22-18-6-5-17(25)12-19(18)23-20/h1-6,12,15,25H,7-11,13H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
I2BM Curated by ChEMBL					Assay Description Antagonist activity at human NR1a/NR2B receptor expressed in mouse fibroblast LMTK cells assessed as inhibition of Glu/Gly induced Ca2+ influx				Eur J Med Chem 46: 2295-309 (2011) Article DOI: 10.1016/j.ejmech.2011.03.013 BindingDB Entry DOI: 10.7270/Q2M32ZMN
					More data for this Ligand-Target Pair
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50474796 (CHEMBL64941) Show SMILES Oc1ccc2[nH]c(CN3CCC(Cc4ccc(F)cc4)CC3)nc2c1 Show InChI InChI=1S/C20H22FN3O/c21-16-3-1-14(2-4-16)11-15-7-9-24(10-8-15)13-20-22-18-6-5-17(25)12-19(18)23-20/h1-6,12,15,25H,7-11,13H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
I2BM Curated by ChEMBL					Assay Description Antagonist activity against NR1a/NR2B receptor transfected in human HEK293 cells assessed as inhibition of NMDA-induced Ca2+ influx				Eur J Med Chem 46: 2295-309 (2011) Article DOI: 10.1016/j.ejmech.2011.03.013 BindingDB Entry DOI: 10.7270/Q2M32ZMN
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50474796 (CHEMBL64941) Show SMILES Oc1ccc2[nH]c(CN3CCC(Cc4ccc(F)cc4)CC3)nc2c1 Show InChI InChI=1S/C20H22FN3O/c21-16-3-1-14(2-4-16)11-15-7-9-24(10-8-15)13-20-22-18-6-5-17(25)12-19(18)23-20/h1-6,12,15,25H,7-11,13H2,(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against alpha-1 adrenergic receptor binding to rat brain membranes				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50474796 (CHEMBL64941) Show SMILES Oc1ccc2[nH]c(CN3CCC(Cc4ccc(F)cc4)CC3)nc2c1 Show InChI InChI=1S/C20H22FN3O/c21-16-3-1-14(2-4-16)11-15-7-9-24(10-8-15)13-20-22-18-6-5-17(25)12-19(18)23-20/h1-6,12,15,25H,7-11,13H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Glu/Gly stimulated [Ca2+] influx in LtK-cells expressing the hNR1a/NR2B receptor				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair