BDBM157256 US10118915, Compound 433::US9682966, 433

SMILES: Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NCC1CC1

InChI Key: InChIKey=IIVRURVOTPPDFG-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 = 157256   

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))	BDBM157256 (US10118915, Compound 433 | US9682966, 433) Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NCC1CC1 Show InChI InChI=1S/C22H27N5O/c1-14-3-6-20-17(11-14)12-19(22-24-15(2)26-28-22)21(25-20)27-9-7-18(8-10-27)23-13-16-4-5-16/h3,6,11-12,16,18,23H,4-5,7-10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements. The carboxy terminus of the OPRK1 receptor has a 7 amino acid l...				US Patent US9682966 (2017) BindingDB Entry DOI: 10.7270/Q2610XHQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM157256 (US10118915, Compound 433 | US9682966, 433) Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NCC1CC1 Show InChI InChI=1S/C22H27N5O/c1-14-3-6-20-17(11-14)12-19(22-24-15(2)26-28-22)21(25-20)27-9-7-18(8-10-27)23-13-16-4-5-16/h3,6,11-12,16,18,23H,4-5,7-10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description Well-known assay for kappa opioid receptor				US Patent US10118915 (2018) BindingDB Entry DOI: 10.7270/Q23J3G00
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM157256 (US10118915, Compound 433 | US9682966, 433) Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NCC1CC1 Show InChI InChI=1S/C22H27N5O/c1-14-3-6-20-17(11-14)12-19(22-24-15(2)26-28-22)21(25-20)27-9-7-18(8-10-27)23-13-16-4-5-16/h3,6,11-12,16,18,23H,4-5,7-10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM157256 (US10118915, Compound 433 | US9682966, 433) Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NCC1CC1 Show InChI InChI=1S/C22H27N5O/c1-14-3-6-20-17(11-14)12-19(22-24-15(2)26-28-22)21(25-20)27-9-7-18(8-10-27)23-13-16-4-5-16/h3,6,11-12,16,18,23H,4-5,7-10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused DOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM157256 (US10118915, Compound 433 | US9682966, 433) Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NCC1CC1 Show InChI InChI=1S/C22H27N5O/c1-14-3-6-20-17(11-14)12-19(22-24-15(2)26-28-22)21(25-20)27-9-7-18(8-10-27)23-13-16-4-5-16/h3,6,11-12,16,18,23H,4-5,7-10,13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	829	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679
					More data for this Ligand-Target Pair