BDBM71613 KSC-1-265::KUC104505N::cid_44665679

SMILES: COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1

InChI Key: InChIKey=PWRCXMOFBJYDLW-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 71613   

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))	BDBM71613 (KSC-1-265 | KUC104505N | cid_44665679) Show SMILES COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1 Show InChI InChI=1S/C28H34N6O4/c1-20-9-11-30-27-26(20)33-13-4-6-23(33)28(36)34(27)19-25(35)29-10-5-12-31-14-16-32(17-15-31)22-8-7-21(37-2)18-24(22)38-3/h4,6-9,11,13,18H,5,10,12,14-17,19H2,1-3H3,(H,29,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	154	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))	BDBM71613 (KSC-1-265 | KUC104505N | cid_44665679) Show SMILES COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1 Show InChI InChI=1S/C28H34N6O4/c1-20-9-11-30-27-26(20)33-13-4-6-23(33)28(36)34(27)19-25(35)29-10-5-12-31-14-16-32(17-15-31)22-8-7-21(37-2)18-24(22)38-3/h4,6-9,11,13,18H,5,10,12,14-17,19H2,1-3H3,(H,29,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.06	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM71613 (KSC-1-265 | KUC104505N | cid_44665679) Show SMILES COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1 Show InChI InChI=1S/C28H34N6O4/c1-20-9-11-30-27-26(20)33-13-4-6-23(33)28(36)34(27)19-25(35)29-10-5-12-31-14-16-32(17-15-31)22-8-7-21(37-2)18-24(22)38-3/h4,6-9,11,13,18H,5,10,12,14-17,19H2,1-3H3,(H,29,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	225	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/Q2V986J5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM71613 (KSC-1-265 | KUC104505N | cid_44665679) Show SMILES COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1 Show InChI InChI=1S/C28H34N6O4/c1-20-9-11-30-27-26(20)33-13-4-6-23(33)28(36)34(27)19-25(35)29-10-5-12-31-14-16-32(17-15-31)22-8-7-21(37-2)18-24(22)38-3/h4,6-9,11,13,18H,5,10,12,14-17,19H2,1-3H3,(H,29,35)	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))	BDBM71613 (KSC-1-265 | KUC104505N | cid_44665679) Show SMILES COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1 Show InChI InChI=1S/C28H34N6O4/c1-20-9-11-30-27-26(20)33-13-4-6-23(33)28(36)34(27)19-25(35)29-10-5-12-31-14-16-32(17-15-31)22-8-7-21(37-2)18-24(22)38-3/h4,6-9,11,13,18H,5,10,12,14-17,19H2,1-3H3,(H,29,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay				Bioorg Med Chem Lett 24: 2021-32 (2014) Article DOI: 10.1016/j.bmcl.2014.03.040 BindingDB Entry DOI: 10.7270/Q2222WBX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM71613 (KSC-1-265 | KUC104505N | cid_44665679) Show SMILES COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1 Show InChI InChI=1S/C28H34N6O4/c1-20-9-11-30-27-26(20)33-13-4-6-23(33)28(36)34(27)19-25(35)29-10-5-12-31-14-16-32(17-15-31)22-8-7-21(37-2)18-24(22)38-3/h4,6-9,11,13,18H,5,10,12,14-17,19H2,1-3H3,(H,29,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay				Bioorg Med Chem Lett 24: 2021-32 (2014) Article DOI: 10.1016/j.bmcl.2014.03.040 BindingDB Entry DOI: 10.7270/Q2222WBX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM71613 (KSC-1-265 | KUC104505N | cid_44665679) Show SMILES COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1 Show InChI InChI=1S/C28H34N6O4/c1-20-9-11-30-27-26(20)33-13-4-6-23(33)28(36)34(27)19-25(35)29-10-5-12-31-14-16-32(17-15-31)22-8-7-21(37-2)18-24(22)38-3/h4,6-9,11,13,18H,5,10,12,14-17,19H2,1-3H3,(H,29,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay				Bioorg Med Chem Lett 24: 2021-32 (2014) Article DOI: 10.1016/j.bmcl.2014.03.040 BindingDB Entry DOI: 10.7270/Q2222WBX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM71613 (KSC-1-265 | KUC104505N | cid_44665679) Show SMILES COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1 Show InChI InChI=1S/C28H34N6O4/c1-20-9-11-30-27-26(20)33-13-4-6-23(33)28(36)34(27)19-25(35)29-10-5-12-31-14-16-32(17-15-31)22-8-7-21(37-2)18-24(22)38-3/h4,6-9,11,13,18H,5,10,12,14-17,19H2,1-3H3,(H,29,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay				Bioorg Med Chem Lett 24: 2021-32 (2014) Article DOI: 10.1016/j.bmcl.2014.03.040 BindingDB Entry DOI: 10.7270/Q2222WBX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM71613 (KSC-1-265 | KUC104505N | cid_44665679) Show SMILES COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1 Show InChI InChI=1S/C28H34N6O4/c1-20-9-11-30-27-26(20)33-13-4-6-23(33)28(36)34(27)19-25(35)29-10-5-12-31-14-16-32(17-15-31)22-8-7-21(37-2)18-24(22)38-3/h4,6-9,11,13,18H,5,10,12,14-17,19H2,1-3H3,(H,29,35)	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	3.09E+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