BDBM71615 KSC-1-268::KUC104543N::cid_44828480

SMILES: Cc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1

InChI Key: InChIKey=AJDQGSOMSDFVHZ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 71615   

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))	BDBM71615 (KSC-1-268 | KUC104543N | cid_44828480) Show SMILES Cc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1 Show InChI InChI=1S/C26H30N6O2/c1-20-7-9-21(10-8-20)30-17-15-29(16-18-30)13-4-12-27-24(33)19-32-25-22(5-2-11-28-25)31-14-3-6-23(31)26(32)34/h2-3,5-11,14H,4,12-13,15-19H2,1H3,(H,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.68E+3	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM71615 (KSC-1-268 | KUC104543N | cid_44828480) Show SMILES Cc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1 Show InChI InChI=1S/C26H30N6O2/c1-20-7-9-21(10-8-20)30-17-15-29(16-18-30)13-4-12-27-24(33)19-32-25-22(5-2-11-28-25)31-14-3-6-23(31)26(32)34/h2-3,5-11,14H,4,12-13,15-19H2,1H3,(H,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	776	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM71615 (KSC-1-268 | KUC104543N | cid_44828480) Show SMILES Cc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1 Show InChI InChI=1S/C26H30N6O2/c1-20-7-9-21(10-8-20)30-17-15-29(16-18-30)13-4-12-27-24(33)19-32-25-22(5-2-11-28-25)31-14-3-6-23(31)26(32)34/h2-3,5-11,14H,4,12-13,15-19H2,1H3,(H,27,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.88E+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))	BDBM71615 (KSC-1-268 | KUC104543N | cid_44828480) Show SMILES Cc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1 Show InChI InChI=1S/C26H30N6O2/c1-20-7-9-21(10-8-20)30-17-15-29(16-18-30)13-4-12-27-24(33)19-32-25-22(5-2-11-28-25)31-14-3-6-23(31)26(32)34/h2-3,5-11,14H,4,12-13,15-19H2,1H3,(H,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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))	BDBM71615 (KSC-1-268 | KUC104543N | cid_44828480) Show SMILES Cc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1 Show InChI InChI=1S/C26H30N6O2/c1-20-7-9-21(10-8-20)30-17-15-29(16-18-30)13-4-12-27-24(33)19-32-25-22(5-2-11-28-25)31-14-3-6-23(31)26(32)34/h2-3,5-11,14H,4,12-13,15-19H2,1H3,(H,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.01E+3	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/Q2028Q01
					More data for this Ligand-Target Pair