null

SMILES: C[C@H]1C2Cc3cc4ncnc(NCCc5ccc(cc5)-c5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1

InChI Key: InChIKey=VTSPZQZEFPWUGM-HUSBTFBPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50261687   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50261687 ((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-N-[2...) Show SMILES C[C@H]1C2Cc3cc4ncnc(NCCc5ccc(cc5)-c5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:27:28:1:33.31.32,34:33:1:4.28.3| Show InChI InChI=1S/C34H38N4/c1-23-32-19-28-18-31-29(20-30(28)34(23,2)15-17-38(32)21-25-8-9-25)33(37-22-36-31)35-16-14-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-13,18,20,22-23,25,32H,8-9,14-17,19,21H2,1-2H3,(H,35,36,37)/t23-,32?,34-/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	28	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50261687 ((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-N-[2...) Show SMILES C[C@H]1C2Cc3cc4ncnc(NCCc5ccc(cc5)-c5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:27:28:1:33.31.32,34:33:1:4.28.3| Show InChI InChI=1S/C34H38N4/c1-23-32-19-28-18-31-29(20-30(28)34(23,2)15-17-38(32)21-25-8-9-25)33(37-22-36-31)35-16-14-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-13,18,20,22-23,25,32H,8-9,14-17,19,21H2,1-2H3,(H,35,36,37)/t23-,32?,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50261687 ((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-N-[2...) Show SMILES C[C@H]1C2Cc3cc4ncnc(NCCc5ccc(cc5)-c5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:27:28:1:33.31.32,34:33:1:4.28.3| Show InChI InChI=1S/C34H38N4/c1-23-32-19-28-18-31-29(20-30(28)34(23,2)15-17-38(32)21-25-8-9-25)33(37-22-36-31)35-16-14-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-13,18,20,22-23,25,32H,8-9,14-17,19,21H2,1-2H3,(H,35,36,37)/t23-,32?,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	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