BDBM71598 KSC-1-180::KUC104211N::cid_22553432

SMILES: CN1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1

InChI Key: InChIKey=OVTPBRPWIMOARI-UHFFFAOYSA-N

Data: 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 4 hits for monomerid = 71598   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM71598 (KSC-1-180 | KUC104211N | cid_22553432) Show SMILES CN1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1 Show InChI InChI=1S/C20H26N6O2/c1-23-11-13-24(14-12-23)9-4-8-21-18(27)15-26-19-16(5-2-7-22-19)25-10-3-6-17(25)20(26)28/h2-3,5-7,10H,4,8-9,11-15H2,1H3,(H,21,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22F7KW2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM71598 (KSC-1-180 | KUC104211N | cid_22553432) Show SMILES CN1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1 Show InChI InChI=1S/C20H26N6O2/c1-23-11-13-24(14-12-23)9-4-8-21-18(27)15-26-19-16(5-2-7-22-19)25-10-3-6-17(25)20(26)28/h2-3,5-7,10H,4,8-9,11-15H2,1H3,(H,21,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q26Q1VQV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM71598 (KSC-1-180 | KUC104211N | cid_22553432) Show SMILES CN1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1 Show InChI InChI=1S/C20H26N6O2/c1-23-11-13-24(14-12-23)9-4-8-21-18(27)15-26-19-16(5-2-7-22-19)25-10-3-6-17(25)20(26)28/h2-3,5-7,10H,4,8-9,11-15H2,1H3,(H,21,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2G73C59
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM71598 (KSC-1-180 | KUC104211N | cid_22553432) Show SMILES CN1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1 Show InChI InChI=1S/C20H26N6O2/c1-23-11-13-24(14-12-23)9-4-8-21-18(27)15-26-19-16(5-2-7-22-19)25-10-3-6-17(25)20(26)28/h2-3,5-7,10H,4,8-9,11-15H2,1H3,(H,21,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27P8WW4
					More data for this Ligand-Target Pair