BDBM50143610 6-amino-20-cyclobutylmethyl-(1R,12S)-7-thia-5,20-diazapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2(10),3,5,8-tetraen-11-one::CHEMBL299713

SMILES: Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1C2CCCC[C@]32CCN1CC1CCC1

InChI Key: InChIKey=TWEQNWYNTADICN-ORDHDVHWSA-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 = 50143610   

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))	BDBM50143610 (6-amino-20-cyclobutylmethyl-(1R,12S)-7-thia-5,20-d...) Show SMILES Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1C2CCCC[C@]32CCN1CC1CCC1 |THB:14:13:6.5.10:21.19.20| Show InChI InChI=1S/C22H27N3OS/c23-21-24-17-11-16-14(10-18(17)27-21)20(26)19-15-6-1-2-7-22(15,16)8-9-25(19)12-13-4-3-5-13/h10-11,13,15,19H,1-9,12H2,(H2,23,24)/t15?,19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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))	BDBM50143610 (6-amino-20-cyclobutylmethyl-(1R,12S)-7-thia-5,20-d...) Show SMILES Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1C2CCCC[C@]32CCN1CC1CCC1 |THB:14:13:6.5.10:21.19.20| Show InChI InChI=1S/C22H27N3OS/c23-21-24-17-11-16-14(10-18(17)27-21)20(26)19-15-6-1-2-7-22(15,16)8-9-25(19)12-13-4-3-5-13/h10-11,13,15,19H,1-9,12H2,(H2,23,24)/t15?,19-,22+/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	200	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))	BDBM50143610 (6-amino-20-cyclobutylmethyl-(1R,12S)-7-thia-5,20-d...) Show SMILES Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1C2CCCC[C@]32CCN1CC1CCC1 |THB:14:13:6.5.10:21.19.20| Show InChI InChI=1S/C22H27N3OS/c23-21-24-17-11-16-14(10-18(17)27-21)20(26)19-15-6-1-2-7-22(15,16)8-9-25(19)12-13-4-3-5-13/h10-11,13,15,19H,1-9,12H2,(H2,23,24)/t15?,19-,22+/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
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