BDBM50528932 CHEMBL4554053

SMILES: NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1

InChI Key: InChIKey=WHJLICHULFVCIM-UHFFFAOYSA-N

Data: 5 KI  3 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 8 hits for monomerid = 50528932   

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
Anandamide amidohydrolase (Mus musculus (mouse))	BDBM50528932 (CHEMBL4554053) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50528932 (CHEMBL4554053) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50528932 (CHEMBL4554053) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50528932 (CHEMBL4554053) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50528932 (CHEMBL4554053) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50528932 (CHEMBL4554053) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells incubated for 72 hrs by patch clamp assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674
					More data for this Ligand-Target Pair
Anandamide amidohydrolase (Mus musculus (mouse))	BDBM50528932 (CHEMBL4554053) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of FAAH in mouse brain membranes using [14C]-AEA as substrate incubated for 15 mins by scintillation counting method				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50528932 (CHEMBL4554053) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells incubated for 72 hrs by patch clamp assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674
					More data for this Ligand-Target Pair