BDBM50143611 13-cyclobutylmethyl-1,16-dimethyl-(1R,12R,16R)-7-thia-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2(10),3,5,8-tetraen-6-amine::CHEMBL301701

SMILES: C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CCC1

InChI Key: InChIKey=DARNEFFTPDYZKR-LCIZUOBNSA-N

Data: 3 KI

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 3 hits for monomerid = 50143611   

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))	BDBM50143611 (13-cyclobutylmethyl-1,16-dimethyl-(1R,12R,16R)-7-t...) Show SMILES C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CCC1 |TLB:19:18:1:13.4.3| Show InChI InChI=1S/C20H27N3S/c1-12-17-8-14-9-18-16(22-19(21)24-18)10-15(14)20(12,2)6-7-23(17)11-13-4-3-5-13/h9-10,12-13,17H,3-8,11H2,1-2H3,(H2,21,22)/t12-,17+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes				J Med Chem 47: 1886-8 (2004) Article DOI: 10.1021/jm049978n BindingDB Entry DOI: 10.7270/Q2N58N4X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50143611 (13-cyclobutylmethyl-1,16-dimethyl-(1R,12R,16R)-7-t...) Show SMILES C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CCC1 |TLB:19:18:1:13.4.3| Show InChI InChI=1S/C20H27N3S/c1-12-17-8-14-9-18-16(22-19(21)24-18)10-15(14)20(12,2)6-7-23(17)11-13-4-3-5-13/h9-10,12-13,17H,3-8,11H2,1-2H3,(H2,21,22)/t12-,17+,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	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane				J Med Chem 47: 1886-8 (2004) Article DOI: 10.1021/jm049978n BindingDB Entry DOI: 10.7270/Q2N58N4X
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50143611 (13-cyclobutylmethyl-1,16-dimethyl-(1R,12R,16R)-7-t...) Show SMILES C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CCC1 |TLB:19:18:1:13.4.3| Show InChI InChI=1S/C20H27N3S/c1-12-17-8-14-9-18-16(22-19(21)24-18)10-15(14)20(12,2)6-7-23(17)11-13-4-3-5-13/h9-10,12-13,17H,3-8,11H2,1-2H3,(H2,21,22)/t12-,17+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane				J Med Chem 47: 1886-8 (2004) Article DOI: 10.1021/jm049978n BindingDB Entry DOI: 10.7270/Q2N58N4X
					More data for this Ligand-Target Pair