BDBM50009222 4-cyclopropylmethyl-14-(1H-3-indolyl)-(1S,13S,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene-10,17-diol

SMILES: Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=CC[C@@]35O)c1c[nH]c2ccccc12

InChI Key: InChIKey=KNLMNSUTXWVHPN-GDOYDIOZSA-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 = 50009222   

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 (GUINEA PIG)	BDBM50009222 (4-cyclopropylmethyl-14-(1H-3-indolyl)-(1S,13S,17S)...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=CC[C@@]35O)c1c[nH]c2ccccc12 |c:23,TLB:17:18:22:7.13.12,3:4:22:7.13.12| Show InChI InChI=1S/C28H28N2O3/c31-22-8-7-17-13-23-28(32)10-9-19(20-14-29-21-4-2-1-3-18(20)21)26-27(28,24(17)25(22)33-26)11-12-30(23)15-16-5-6-16/h1-4,7-9,14,16,23,26,29,31-32H,5-6,10-13,15H2/t23?,26-,27-,28+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to Opioid receptor mu using [3H]DAMGO as radioligand in guinea pigbrain membrane				J Med Chem 34: 1715-20 (1991) BindingDB Entry DOI: 10.7270/Q2T43TPG
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50009222 (4-cyclopropylmethyl-14-(1H-3-indolyl)-(1S,13S,17S)...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=CC[C@@]35O)c1c[nH]c2ccccc12 |c:23,TLB:17:18:22:7.13.12,3:4:22:7.13.12| Show InChI InChI=1S/C28H28N2O3/c31-22-8-7-17-13-23-28(32)10-9-19(20-14-29-21-4-2-1-3-18(20)21)26-27(28,24(17)25(22)33-26)11-12-30(23)15-16-5-6-16/h1-4,7-9,14,16,23,26,29,31-32H,5-6,10-13,15H2/t23?,26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to opioid receptor delta				J Med Chem 34: 1715-20 (1991) BindingDB Entry DOI: 10.7270/Q2T43TPG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50009222 (4-cyclopropylmethyl-14-(1H-3-indolyl)-(1S,13S,17S)...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=CC[C@@]35O)c1c[nH]c2ccccc12 |c:23,TLB:17:18:22:7.13.12,3:4:22:7.13.12| Show InChI InChI=1S/C28H28N2O3/c31-22-8-7-17-13-23-28(32)10-9-19(20-14-29-21-4-2-1-3-18(20)21)26-27(28,24(17)25(22)33-26)11-12-30(23)15-16-5-6-16/h1-4,7-9,14,16,23,26,29,31-32H,5-6,10-13,15H2/t23?,26-,27-,28+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to opioid receptor kappa using [3H]-EK as radioligand in guinea pigbrain membrane				J Med Chem 34: 1715-20 (1991) BindingDB Entry DOI: 10.7270/Q2T43TPG
					More data for this Ligand-Target Pair