null

SMILES: NC(NCc1ccc(O)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O

InChI Key: InChIKey=DZTFAJAJXXLJSD-YKYICAMPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50136117   

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))	BDBM50136117 (22-cyclopropylmethyl-7-[4-hydroxybenzylamino(imino...) Show SMILES NC(NCc1ccc(O)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30| Show InChI InChI=1S/C34H35N5O4/c35-32(36-16-18-3-7-22(40)8-4-18)37-21-6-9-25-23(14-21)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)38-25)11-12-39(27)17-19-1-2-19/h3-10,14,19,27,31,38,40-42H,1-2,11-13,15-17H2,(H3,35,36,37)/t27?,31-,33-,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand				J Med Chem 46: 5505-11 (2003) Article DOI: 10.1021/jm0309203 BindingDB Entry DOI: 10.7270/Q2V69K9X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50136117 (22-cyclopropylmethyl-7-[4-hydroxybenzylamino(imino...) Show SMILES NC(NCc1ccc(O)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30| Show InChI InChI=1S/C34H35N5O4/c35-32(36-16-18-3-7-22(40)8-4-18)37-21-6-9-25-23(14-21)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)38-25)11-12-39(27)17-19-1-2-19/h3-10,14,19,27,31,38,40-42H,1-2,11-13,15-17H2,(H3,35,36,37)/t27?,31-,33-,34+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand				J Med Chem 46: 5505-11 (2003) Article DOI: 10.1021/jm0309203 BindingDB Entry DOI: 10.7270/Q2V69K9X
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50136117 (22-cyclopropylmethyl-7-[4-hydroxybenzylamino(imino...) Show SMILES NC(NCc1ccc(O)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30| Show InChI InChI=1S/C34H35N5O4/c35-32(36-16-18-3-7-22(40)8-4-18)37-21-6-9-25-23(14-21)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)38-25)11-12-39(27)17-19-1-2-19/h3-10,14,19,27,31,38,40-42H,1-2,11-13,15-17H2,(H3,35,36,37)/t27?,31-,33-,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand				J Med Chem 46: 5505-11 (2003) Article DOI: 10.1021/jm0309203 BindingDB Entry DOI: 10.7270/Q2V69K9X
					More data for this Ligand-Target Pair