null

SMILES: C[C@H]1C2Cc3cc4ncnc(NCc5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1

InChI Key: InChIKey=PGGRPGAMEVCOGX-CGOBKJRRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50261688   

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))	BDBM50261688 ((1S,17R)-N-benzyl-14-(cyclopropylmethyl)-1,17-dime...) Show SMILES C[C@H]1C2Cc3cc4ncnc(NCc5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:20:21:1:26.24.25,27:26:1:4.21.3| Show InChI InChI=1S/C27H32N4/c1-18-25-13-21-12-24-22(26(30-17-29-24)28-15-19-6-4-3-5-7-19)14-23(21)27(18,2)10-11-31(25)16-20-8-9-20/h3-7,12,14,17-18,20,25H,8-11,13,15-16H2,1-2H3,(H,28,29,30)/t18-,25?,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 5653-64 (2008) Article DOI: 10.1016/j.bmc.2008.03.066 BindingDB Entry DOI: 10.7270/Q23X87JZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50261688 ((1S,17R)-N-benzyl-14-(cyclopropylmethyl)-1,17-dime...) Show SMILES C[C@H]1C2Cc3cc4ncnc(NCc5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:20:21:1:26.24.25,27:26:1:4.21.3| Show InChI InChI=1S/C27H32N4/c1-18-25-13-21-12-24-22(26(30-17-29-24)28-15-19-6-4-3-5-7-19)14-23(21)27(18,2)10-11-31(25)16-20-8-9-20/h3-7,12,14,17-18,20,25H,8-11,13,15-16H2,1-2H3,(H,28,29,30)/t18-,25?,27-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 5653-64 (2008) Article DOI: 10.1016/j.bmc.2008.03.066 BindingDB Entry DOI: 10.7270/Q23X87JZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50261688 ((1S,17R)-N-benzyl-14-(cyclopropylmethyl)-1,17-dime...) Show SMILES C[C@H]1C2Cc3cc4ncnc(NCc5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:20:21:1:26.24.25,27:26:1:4.21.3| Show InChI InChI=1S/C27H32N4/c1-18-25-13-21-12-24-22(26(30-17-29-24)28-15-19-6-4-3-5-7-19)14-23(21)27(18,2)10-11-31(25)16-20-8-9-20/h3-7,12,14,17-18,20,25H,8-11,13,15-16H2,1-2H3,(H,28,29,30)/t18-,25?,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 5653-64 (2008) Article DOI: 10.1016/j.bmc.2008.03.066 BindingDB Entry DOI: 10.7270/Q23X87JZ
					More data for this Ligand-Target Pair