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

InChI Key: InChIKey=BHNXPENUKMGFLB-SFIUWABCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50261629   

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))	BDBM50261629 ((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-6,8,...) Show SMILES C[C@H]1C2Cc3cc4ncnc(N)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3| Show InChI InChI=1S/C20H26N4/c1-12-18-8-14-7-17-15(19(21)23-11-22-17)9-16(14)20(12,2)5-6-24(18)10-13-3-4-13/h7,9,11-13,18H,3-6,8,10H2,1-2H3,(H2,21,22,23)/t12-,18?,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	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))	BDBM50261629 ((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-6,8,...) Show SMILES C[C@H]1C2Cc3cc4ncnc(N)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3| Show InChI InChI=1S/C20H26N4/c1-12-18-8-14-7-17-15(19(21)23-11-22-17)9-16(14)20(12,2)5-6-24(18)10-13-3-4-13/h7,9,11-13,18H,3-6,8,10H2,1-2H3,(H2,21,22,23)/t12-,18?,20-/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	890	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))	BDBM50261629 ((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-6,8,...) Show SMILES C[C@H]1C2Cc3cc4ncnc(N)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3| Show InChI InChI=1S/C20H26N4/c1-12-18-8-14-7-17-15(19(21)23-11-22-17)9-16(14)20(12,2)5-6-24(18)10-13-3-4-13/h7,9,11-13,18H,3-6,8,10H2,1-2H3,(H2,21,22,23)/t12-,18?,20-/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+4	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