BDBM50254514 (1S,2R,6S,14R,15S,16R)-3-(cyclopropylmethyl)-16-[(2R)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7(12),8,10-triene-11-carboxamide::CHEMBL517567

SMILES: CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45

InChI Key: InChIKey=PNSGSIISNKYAEX-XUTBCECSSA-N

Data: 3 KI  2 IC50

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 5 hits for monomerid = 50254514   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50254514 ((1S,2R,6S,14R,15S,16R)-3-(cyclopropylmethyl)-16-[(...) Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C30H42N2O4/c1-26(2,3)27(4,34)20-15-28-10-11-30(20,35-5)25-29(28)12-13-32(16-17-6-7-17)21(28)14-18-8-9-19(24(31)33)23(36-25)22(18)29/h8-9,17,20-21,25,34H,6-7,10-16H2,1-5H3,(H2,31,33)/t20-,21-,25-,27-,28-,29+,30+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50254514 ((1S,2R,6S,14R,15S,16R)-3-(cyclopropylmethyl)-16-[(...) Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C30H42N2O4/c1-26(2,3)27(4,34)20-15-28-10-11-30(20,35-5)25-29(28)12-13-32(16-17-6-7-17)21(28)14-18-8-9-19(24(31)33)23(36-25)22(18)29/h8-9,17,20-21,25,34H,6-7,10-16H2,1-5H3,(H2,31,33)/t20-,21-,25-,27-,28-,29+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50254514 ((1S,2R,6S,14R,15S,16R)-3-(cyclopropylmethyl)-16-[(...) Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C30H42N2O4/c1-26(2,3)27(4,34)20-15-28-10-11-30(20,35-5)25-29(28)12-13-32(16-17-6-7-17)21(28)14-18-8-9-19(24(31)33)23(36-25)22(18)29/h8-9,17,20-21,25,34H,6-7,10-16H2,1-5H3,(H2,31,33)/t20-,21-,25-,27-,28-,29+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50254514 ((1S,2R,6S,14R,15S,16R)-3-(cyclopropylmethyl)-16-[(...) Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C30H42N2O4/c1-26(2,3)27(4,34)20-15-28-10-11-30(20,35-5)25-29(28)12-13-32(16-17-6-7-17)21(28)14-18-8-9-19(24(31)33)23(36-25)22(18)29/h8-9,17,20-21,25,34H,6-7,10-16H2,1-5H3,(H2,31,33)/t20-,21-,25-,27-,28-,29+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Activity at human cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of U50488-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50254514 ((1S,2R,6S,14R,15S,16R)-3-(cyclopropylmethyl)-16-[(...) Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C30H42N2O4/c1-26(2,3)27(4,34)20-15-28-10-11-30(20,35-5)25-29(28)12-13-32(16-17-6-7-17)21(28)14-18-8-9-19(24(31)33)23(36-25)22(18)29/h8-9,17,20-21,25,34H,6-7,10-16H2,1-5H3,(H2,31,33)/t20-,21-,25-,27-,28-,29+,30+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K
					More data for this Ligand-Target Pair