null

SMILES: Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(CCNC(=N)NCc4ccc(Cl)cc4)cc2c1C[C@@]35O

InChI Key: InChIKey=QVNQMMJZMWHYPE-RCJPCBSLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50136124   

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))	BDBM50136124 (7-{2-[4-chlorobenzylamino(imino)methylamino]ethyl}...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(CCNC(=N)NCc4ccc(Cl)cc4)cc2c1C[C@@]35O |TLB:17:18:43:7.13.12,3:4:43:7.13.12| Show InChI InChI=1S/C36H38ClN5O3/c37-24-7-3-21(4-8-24)18-40-34(38)39-13-11-20-5-9-27-25(15-20)26-17-36(44)29-16-23-6-10-28(43)32-30(23)35(36,33(45-32)31(26)41-27)12-14-42(29)19-22-1-2-22/h3-10,15,22,29,33,41,43-44H,1-2,11-14,16-19H2,(H3,38,39,40)/t29?,33-,35-,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40	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))	BDBM50136124 (7-{2-[4-chlorobenzylamino(imino)methylamino]ethyl}...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(CCNC(=N)NCc4ccc(Cl)cc4)cc2c1C[C@@]35O |TLB:17:18:43:7.13.12,3:4:43:7.13.12| Show InChI InChI=1S/C36H38ClN5O3/c37-24-7-3-21(4-8-24)18-40-34(38)39-13-11-20-5-9-27-25(15-20)26-17-36(44)29-16-23-6-10-28(43)32-30(23)35(36,33(45-32)31(26)41-27)12-14-42(29)19-22-1-2-22/h3-10,15,22,29,33,41,43-44H,1-2,11-14,16-19H2,(H3,38,39,40)/t29?,33-,35-,36+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.70	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))	BDBM50136124 (7-{2-[4-chlorobenzylamino(imino)methylamino]ethyl}...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(CCNC(=N)NCc4ccc(Cl)cc4)cc2c1C[C@@]35O |TLB:17:18:43:7.13.12,3:4:43:7.13.12| Show InChI InChI=1S/C36H38ClN5O3/c37-24-7-3-21(4-8-24)18-40-34(38)39-13-11-20-5-9-27-25(15-20)26-17-36(44)29-16-23-6-10-28(43)32-30(23)35(36,33(45-32)31(26)41-27)12-14-42(29)19-22-1-2-22/h3-10,15,22,29,33,41,43-44H,1-2,11-14,16-19H2,(H3,38,39,40)/t29?,33-,35-,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	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