BDBM50090101 5'-Amidino-17-cyclopropylmethyl-6,7-didehydro-4,5alpha-epoxy-3,14-dihydroxyindolo[2',3':6,7]morphinan::CHEMBL96609

SMILES: NC(=N)c1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O

InChI Key: InChIKey=ISHJXLVOCGMUTE-GZCZAXCTSA-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 = 50090101   

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 (Rattus norvegicus (rat))	BDBM50090101 (5'-Amidino-17-cyclopropylmethyl-6,7-didehydro-4,5a...) Show SMILES NC(=N)c1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:11:12:24:16.22.21,30:13:24:16.22.21| Show InChI InChI=1S/C27H28N4O3/c28-25(29)15-3-5-18-16(9-15)17-11-27(33)20-10-14-4-6-19(32)23-21(14)26(27,24(34-23)22(17)30-18)7-8-31(20)12-13-1-2-13/h3-6,9,13,20,24,30,32-33H,1-2,7-8,10-12H2,(H3,28,29)/t20?,24-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.529	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity on HEK-293 cells transiently transfected with plasmids encoding the rat Opioid receptor kappa 1				J Med Chem 43: 2759-69 (2000) BindingDB Entry DOI: 10.7270/Q2JD4W2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50090101 (5'-Amidino-17-cyclopropylmethyl-6,7-didehydro-4,5a...) Show SMILES NC(=N)c1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:11:12:24:16.22.21,30:13:24:16.22.21| Show InChI InChI=1S/C27H28N4O3/c28-25(29)15-3-5-18-16(9-15)17-11-27(33)20-10-14-4-6-19(32)23-21(14)26(27,24(34-23)22(17)30-18)7-8-31(20)12-13-1-2-13/h3-6,9,13,20,24,30,32-33H,1-2,7-8,10-12H2,(H3,28,29)/t20?,24-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity on HEK-293 cells transiently transfected with plasmids encoding the rat Opioid receptor mu 1				J Med Chem 43: 2759-69 (2000) BindingDB Entry DOI: 10.7270/Q2JD4W2W
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50090101 (5'-Amidino-17-cyclopropylmethyl-6,7-didehydro-4,5a...) Show SMILES NC(=N)c1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:11:12:24:16.22.21,30:13:24:16.22.21| Show InChI InChI=1S/C27H28N4O3/c28-25(29)15-3-5-18-16(9-15)17-11-27(33)20-10-14-4-6-19(32)23-21(14)26(27,24(34-23)22(17)30-18)7-8-31(20)12-13-1-2-13/h3-6,9,13,20,24,30,32-33H,1-2,7-8,10-12H2,(H3,28,29)/t20?,24-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity on HEK-293 cells transiently transfected with plasmids encoding the rat Opioid receptor delta 1				J Med Chem 43: 2759-69 (2000) BindingDB Entry DOI: 10.7270/Q2JD4W2W
					More data for this Ligand-Target Pair