BDBM50148074 3-benzyloxy-17-cyclopropylmethyl-10-methoxy-(1R,9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one::CHEMBL109741

SMILES: CO[C@@]12CCC(=O)CC11CCN(CC3CC3)[C@@H]2Cc2cccc(OCc3ccccc3)c12

InChI Key: InChIKey=KAAZUTVTPBFNBZ-LWOXTOHASA-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 = 50148074   

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 (Rattus norvegicus (rat))	BDBM50148074 (3-benzyloxy-17-cyclopropylmethyl-10-methoxy-(1R,9R...) Show SMILES CO[C@@]12CCC(=O)CC11CCN(CC3CC3)[C@@H]2Cc2cccc(OCc3ccccc3)c12 |TLB:12:11:2:31.18.17| Show InChI InChI=1S/C28H33NO3/c1-31-28-13-12-23(30)17-27(28)14-15-29(18-20-10-11-20)25(28)16-22-8-5-9-24(26(22)27)32-19-21-6-3-2-4-7-21/h2-9,20,25H,10-19H2,1H3/t25-,27?,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity determined by displacing [3H]DAMGO from Opioid receptor mu 1 in rat brain membranes				J Med Chem 47: 3242-7 (2004) Article DOI: 10.1021/jm031126k BindingDB Entry DOI: 10.7270/Q2TD9WT4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50148074 (3-benzyloxy-17-cyclopropylmethyl-10-methoxy-(1R,9R...) Show SMILES CO[C@@]12CCC(=O)CC11CCN(CC3CC3)[C@@H]2Cc2cccc(OCc3ccccc3)c12 |TLB:12:11:2:31.18.17| Show InChI InChI=1S/C28H33NO3/c1-31-28-13-12-23(30)17-27(28)14-15-29(18-20-10-11-20)25(28)16-22-8-5-9-24(26(22)27)32-19-21-6-3-2-4-7-21/h2-9,20,25H,10-19H2,1H3/t25-,27?,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.68E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity determined by displacing [3H]U69,593 from Opioid receptor kappa 1 in rat brain membranes				J Med Chem 47: 3242-7 (2004) Article DOI: 10.1021/jm031126k BindingDB Entry DOI: 10.7270/Q2TD9WT4
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50148074 (3-benzyloxy-17-cyclopropylmethyl-10-methoxy-(1R,9R...) Show SMILES CO[C@@]12CCC(=O)CC11CCN(CC3CC3)[C@@H]2Cc2cccc(OCc3ccccc3)c12 |TLB:12:11:2:31.18.17| Show InChI InChI=1S/C28H33NO3/c1-31-28-13-12-23(30)17-27(28)14-15-29(18-20-10-11-20)25(28)16-22-8-5-9-24(26(22)27)32-19-21-6-3-2-4-7-21/h2-9,20,25H,10-19H2,1H3/t25-,27?,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.13E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity determined by displacing [3H][Ile5,6]deltorphin II from opioid receptor delta 1 in rat brain membranes				J Med Chem 47: 3242-7 (2004) Article DOI: 10.1021/jm031126k BindingDB Entry DOI: 10.7270/Q2TD9WT4
					More data for this Ligand-Target Pair