BDBM50533341 CHEMBL4544227

SMILES: CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@H]2Cc3cccc4cccc2c34)c1=O

InChI Key: InChIKey=PJANMOWVUZBDQF-DEOSSOPVSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50533341   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM50533341 (CHEMBL4544227) Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@H]2Cc3cccc4cccc2c34)c1=O |r| Show InChI InChI=1S/C27H28N4O2/c1-28-25(32)17-30-22-10-2-3-11-23(22)31(27(30)33)20-12-14-29(15-13-20)24-16-19-8-4-6-18-7-5-9-21(24)26(18)19/h2-11,20,24H,12-17H2,1H3,(H,28,32)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astraea Therapeutics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin/orphanin FQ from recombinant human nociceptin opioid receptor expressed in HEK293 cell membranes after 60 mins				J Med Chem 59: 7011-28 (2016) Article DOI: 10.1021/acs.jmedchem.5b01499
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50533341 (CHEMBL4544227) Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@H]2Cc3cccc4cccc2c34)c1=O |r| Show InChI InChI=1S/C27H28N4O2/c1-28-25(32)17-30-22-10-2-3-11-23(22)31(27(30)33)20-12-14-29(15-13-20)24-16-19-8-4-6-18-7-5-9-21(24)26(18)19/h2-11,20,24H,12-17H2,1H3,(H,28,32)/t24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astraea Therapeutics Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor expressed in CHO cell membranes after 60 mins				J Med Chem 59: 7011-28 (2016) Article DOI: 10.1021/acs.jmedchem.5b01499
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50533341 (CHEMBL4544227) Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@H]2Cc3cccc4cccc2c34)c1=O |r| Show InChI InChI=1S/C27H28N4O2/c1-28-25(32)17-30-22-10-2-3-11-23(22)31(27(30)33)20-12-14-29(15-13-20)24-16-19-8-4-6-18-7-5-9-21(24)26(18)19/h2-11,20,24H,12-17H2,1H3,(H,28,32)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
Astraea Therapeutics Curated by ChEMBL					Assay Description Agonist activity at human nociceptin opioid receptor expressed in HEK293 cell membranes by GTPgamma(35)S binding assay				J Med Chem 59: 7011-28 (2016) Article DOI: 10.1021/acs.jmedchem.5b01499
					More data for this Ligand-Target Pair