BDBM50036137 2-[22-cyclopropylmethyl-2,16-dihydroxy-(2S,13R)-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(25),16,18-heptaen-9-ylcarboxamido]-(2R)-butanedioic acid::CHEMBL334970

SMILES: OC(=O)C[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O

InChI Key: InChIKey=OPMKMCOJTGUVGA-IRECNROUSA-N

Data: 4 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 4 hits for monomerid = 50036137   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50036137 (2-[22-cyclopropylmethyl-2,16-dihydroxy-(2S,13R)-14...) Show SMILES OC(=O)C[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:16:15:38.19.18:33.31.32,24:38:15:33.31.32,34:33:15:38.19.18,THB:14:15:38.19.18:33.31.32| Show InChI InChI=1S/C31H31N3O8/c35-20-7-6-15-10-21-31(41)12-18-16-2-1-3-17(28(38)32-19(29(39)40)11-22(36)37)24(16)33-25(18)27-30(31,23(15)26(20)42-27)8-9-34(21)13-14-4-5-14/h1-3,6-7,14,19,21,27,33,35,41H,4-5,8-13H2,(H,32,38)(H,36,37)(H,39,40)/t19-,21?,27+,30?,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The opioid receptor affinity(Ki) was evaluated by competition with [3H]-DPDPE (delta 1) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50036137 (2-[22-cyclopropylmethyl-2,16-dihydroxy-(2S,13R)-14...) Show SMILES OC(=O)C[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:16:15:38.19.18:33.31.32,24:38:15:33.31.32,34:33:15:38.19.18,THB:14:15:38.19.18:33.31.32| Show InChI InChI=1S/C31H31N3O8/c35-20-7-6-15-10-21-31(41)12-18-16-2-1-3-17(28(38)32-19(29(39)40)11-22(36)37)24(16)33-25(18)27-30(31,23(15)26(20)42-27)8-9-34(21)13-14-4-5-14/h1-3,6-7,14,19,21,27,33,35,41H,4-5,8-13H2,(H,32,38)(H,36,37)(H,39,40)/t19-,21?,27+,30?,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The opioid receptor affinity(Ki) was evaluated by competition with [3H]DSLET (delta 2) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50036137 (2-[22-cyclopropylmethyl-2,16-dihydroxy-(2S,13R)-14...) Show SMILES OC(=O)C[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:16:15:38.19.18:33.31.32,24:38:15:33.31.32,34:33:15:38.19.18,THB:14:15:38.19.18:33.31.32| Show InChI InChI=1S/C31H31N3O8/c35-20-7-6-15-10-21-31(41)12-18-16-2-1-3-17(28(38)32-19(29(39)40)11-22(36)37)24(16)33-25(18)27-30(31,23(15)26(20)42-27)8-9-34(21)13-14-4-5-14/h1-3,6-7,14,19,21,27,33,35,41H,4-5,8-13H2,(H,32,38)(H,36,37)(H,39,40)/t19-,21?,27+,30?,31-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	368	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The opioid receptor affinity(Ki) was evaluated by competition with [3H]DAMGO (mu) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50036137 (2-[22-cyclopropylmethyl-2,16-dihydroxy-(2S,13R)-14...) Show SMILES OC(=O)C[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:16:15:38.19.18:33.31.32,24:38:15:33.31.32,34:33:15:38.19.18,THB:14:15:38.19.18:33.31.32| Show InChI InChI=1S/C31H31N3O8/c35-20-7-6-15-10-21-31(41)12-18-16-2-1-3-17(28(38)32-19(29(39)40)11-22(36)37)24(16)33-25(18)27-30(31,23(15)26(20)42-27)8-9-34(21)13-14-4-5-14/h1-3,6-7,14,19,21,27,33,35,41H,4-5,8-13H2,(H,32,38)(H,36,37)(H,39,40)/t19-,21?,27+,30?,31-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	893	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The opioid receptor affinity(Ki) was evaluated by competition with 9 (Opioid receptor kappa 1) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair