BDBM50044871 22-cyclopropylmethyl-7-(1-iminopentylaminomethyl)-(2S)-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: CCCCC(=N)NCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O

InChI Key: InChIKey=LHABVQRHEYQPMS-CSNANGCCSA-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 = 50044871   

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 (Cavia porcellus (domestic guinea pig))	BDBM50044871 (22-cyclopropylmethyl-7-(1-iminopentylaminomethyl)-...) Show SMILES CCCCC(=N)NCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26| Show InChI InChI=1S/C32H38N4O3/c1-2-3-4-26(33)34-16-19-7-9-23-21(13-19)22-15-32(38)25-14-20-8-10-24(37)29-27(20)31(32,30(39-29)28(22)35-23)11-12-36(25)17-18-5-6-18/h7-10,13,18,25,30,35,37-38H,2-6,11-12,14-17H2,1H3,(H2,33,34)/t25?,30?,31-,32+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.0610	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 for k opioid receptor was determined using [3H]U-69593 radioligand in Guinea pig brain membranes				J Med Chem 36: 179-80 (1993) BindingDB Entry DOI: 10.7270/Q2Z60PPM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50044871 (22-cyclopropylmethyl-7-(1-iminopentylaminomethyl)-...) Show SMILES CCCCC(=N)NCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26| Show InChI InChI=1S/C32H38N4O3/c1-2-3-4-26(33)34-16-19-7-9-23-21(13-19)22-15-32(38)25-14-20-8-10-24(37)29-27(20)31(32,30(39-29)28(22)35-23)11-12-36(25)17-18-5-6-18/h7-10,13,18,25,30,35,37-38H,2-6,11-12,14-17H2,1H3,(H2,33,34)/t25?,30?,31-,32+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	3.5	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 for mu opioid receptor was determined using radioligand [3H][D-Ala2,MePhe4,Gly-ol6]enkephalin (DAMGO) in Guinea pig brain membranes.				J Med Chem 36: 179-80 (1993) BindingDB Entry DOI: 10.7270/Q2Z60PPM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50044871 (22-cyclopropylmethyl-7-(1-iminopentylaminomethyl)-...) Show SMILES CCCCC(=N)NCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26| Show InChI InChI=1S/C32H38N4O3/c1-2-3-4-26(33)34-16-19-7-9-23-21(13-19)22-15-32(38)25-14-20-8-10-24(37)29-27(20)31(32,30(39-29)28(22)35-23)11-12-36(25)17-18-5-6-18/h7-10,13,18,25,30,35,37-38H,2-6,11-12,14-17H2,1H3,(H2,33,34)/t25?,30?,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	5.5	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 for delta opioid receptor was determined using radioligand [3H]DPDPE in Guinea pig brain membranes.				J Med Chem 36: 179-80 (1993) BindingDB Entry DOI: 10.7270/Q2Z60PPM
					More data for this Ligand-Target Pair