BDBM50136121 7-[2-butylamino(butylimino)methylaminoethyl]-22-cyclopropylmethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaene-2,16-diol

SMILES: CCCCNC(NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NCCCC

InChI Key: InChIKey=ZRUAIILLUMGCGM-WSJFZLEHSA-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 = 50136121   

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))	BDBM50136121 (7-[2-butylamino(butylimino)methylaminoethyl]-22-cy...) Show SMILES CCCCNC(NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NCCCC |w:40.48,TLB:17:18:30:22.28.27,36:19:30:22.28.27| Show InChI InChI=1S/C37H49N5O3/c1-3-5-15-38-35(39-16-6-4-2)40-17-13-23-9-11-28-26(19-23)27-21-37(44)30-20-25-10-12-29(43)33-31(25)36(37,34(45-33)32(27)41-28)14-18-42(30)22-24-7-8-24/h9-12,19,24,30,34,41,43-44H,3-8,13-18,20-22H2,1-2H3,(H2,38,39,40)/t30?,34-,36-,37+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50136121 (7-[2-butylamino(butylimino)methylaminoethyl]-22-cy...) Show SMILES CCCCNC(NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NCCCC |w:40.48,TLB:17:18:30:22.28.27,36:19:30:22.28.27| Show InChI InChI=1S/C37H49N5O3/c1-3-5-15-38-35(39-16-6-4-2)40-17-13-23-9-11-28-26(19-23)27-21-37(44)30-20-25-10-12-29(43)33-31(25)36(37,34(45-33)32(27)41-28)14-18-42(30)22-24-7-8-24/h9-12,19,24,30,34,41,43-44H,3-8,13-18,20-22H2,1-2H3,(H2,38,39,40)/t30?,34-,36-,37+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.70	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 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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50136121 (7-[2-butylamino(butylimino)methylaminoethyl]-22-cy...) Show SMILES CCCCNC(NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NCCCC |w:40.48,TLB:17:18:30:22.28.27,36:19:30:22.28.27| Show InChI InChI=1S/C37H49N5O3/c1-3-5-15-38-35(39-16-6-4-2)40-17-13-23-9-11-28-26(19-23)27-21-37(44)30-20-25-10-12-29(43)33-31(25)36(37,34(45-33)32(27)41-28)14-18-42(30)22-24-7-8-24/h9-12,19,24,30,34,41,43-44H,3-8,13-18,20-22H2,1-2H3,(H2,38,39,40)/t30?,34-,36-,37+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.90	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