BDBM50541996 CHEMBL4633982

SMILES: OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=WYKMWZDXNRNMFC-UHFFFAOYSA-N

Data: 6 KI  3 IC50  4 EC50

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 13 hits for monomerid = 50541996   

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
Alpha-2A adrenergic receptor (Homo sapiens)	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha2A receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020)
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020)
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha2C receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020)
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	3.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to DOR (unknown origin)				J Med Chem 63: 9563-9589 (2020)
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	3.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to DOR (unknown origin)				J Med Chem 63: 9563-9589 (2020)
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	5.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha2B receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020)
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity at CB2 receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020)
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University School of Medicine Curated by ChEMBL					Assay Description Displacement of Alexafluor488 labeled 4-(4-(1-(4-(1-(6-(4-(6-amino-3-imino-4,5-disulfo-3H-xanthen-9-yl)-3-carboxybenzamido)hexyl)-1H-1,2,3-triazol-4-...				ACS Med Chem Lett 11: 1281-1286 (2020)
					More data for this Ligand-Target Pair
Purinergic receptor P2Y14 (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	664	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University School of Medicine Curated by ChEMBL					Assay Description Displacement of Alexafluor488 labeled 4-(4-(1-(4-(1-(6-(4-(6-amino-3-imino-4,5-disulfo-3H-xanthen-9-yl)-3-carboxybenzamido)hexyl)-1H-1,2,3-triazol-4-...				ACS Med Chem Lett 11: 1281-1286 (2020)
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020)
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity at CB1 receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020)
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at CB2 receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020)
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of MRS4174 binding to mouse P2Y14R expressed in HEK293 cells pre-incubated for 30 mins before MRS4174 addition and further incubated for 3...				J Med Chem 63: 9563-9589 (2020)
					More data for this Ligand-Target Pair