BDBM50087029 (1S,5aR)-1-methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexahydro-6-aza-benzo[mno]aceanthrylene::(6S,10aR)-6-methoxy-1,6-dimethyl-1,2,3,6,10,10a-hexahydrofluoreno[3,4,5-defg]quinoline::1-Methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexahydro-6-aza-benzo[mno]aceanthrylene::CHEMBL281923

SMILES: CO[C@@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45

InChI Key: InChIKey=JVZCJQBRRXZMQR-UZLBHIALSA-N

Data: 8 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 8 hits for monomerid = 50087029   

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
Serotonin (5-HT) receptor (Rattus norvegicus (rat))	BDBM50087029 ((1S,5aR)-1-methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexah...) Show SMILES CO[C@@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45 Show InChI InChI=1S/C20H21NO/c1-20(22-3)14-6-4-5-13-11-16-18-12(9-10-21(16)2)7-8-15(20)19(18)17(13)14/h4-8,16H,9-11H2,1-3H3/t16-,20+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from over-expressed rat 5-hydroxytryptamine 7 receptor				J Med Chem 43: 1339-49 (2001) BindingDB Entry DOI: 10.7270/Q2RJ4HQ3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50087029 ((1S,5aR)-1-methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexah...) Show SMILES CO[C@@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45 Show InChI InChI=1S/C20H21NO/c1-20(22-3)14-6-4-5-13-11-16-18-12(9-10-21(16)2)7-8-15(20)19(18)17(13)14/h4-8,16H,9-11H2,1-3H3/t16-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from rat SERT				J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50087029 ((1S,5aR)-1-methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexah...) Show SMILES CO[C@@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45 Show InChI InChI=1S/C20H21NO/c1-20(22-3)14-6-4-5-13-11-16-18-12(9-10-21(16)2)7-8-15(20)19(18)17(13)14/h4-8,16H,9-11H2,1-3H3/t16-,20+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor				J Med Chem 46: 2795-812 (2003) Article DOI: 10.1021/jm030030n BindingDB Entry DOI: 10.7270/Q2M0465F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50087029 ((1S,5aR)-1-methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexah...) Show SMILES CO[C@@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45 Show InChI InChI=1S/C20H21NO/c1-20(22-3)14-6-4-5-13-11-16-18-12(9-10-21(16)2)7-8-15(20)19(18)17(13)14/h4-8,16H,9-11H2,1-3H3/t16-,20+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity was measured on cloned human 5-hydroxytryptamine 1A receptor which is labeled by [3H]-8-OH-DPAT				J Med Chem 43: 1339-49 (2001) BindingDB Entry DOI: 10.7270/Q2RJ4HQ3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50087029 ((1S,5aR)-1-methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexah...) Show SMILES CO[C@@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45 Show InChI InChI=1S/C20H21NO/c1-20(22-3)14-6-4-5-13-11-16-18-12(9-10-21(16)2)7-8-15(20)19(18)17(13)14/h4-8,16H,9-11H2,1-3H3/t16-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor				J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50087029 ((1S,5aR)-1-methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexah...) Show SMILES CO[C@@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45 Show InChI InChI=1S/C20H21NO/c1-20(22-3)14-6-4-5-13-11-16-18-12(9-10-21(16)2)7-8-15(20)19(18)17(13)14/h4-8,16H,9-11H2,1-3H3/t16-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from rat dopamine D2 receptor				J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50087029 ((1S,5aR)-1-methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexah...) Show SMILES CO[C@@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45 Show InChI InChI=1S/C20H21NO/c1-20(22-3)14-6-4-5-13-11-16-18-12(9-10-21(16)2)7-8-15(20)19(18)17(13)14/h4-8,16H,9-11H2,1-3H3/t16-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]-Raclopride from human Dopamine receptor D2A				J Med Chem 43: 1339-49 (2001) BindingDB Entry DOI: 10.7270/Q2RJ4HQ3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50087029 ((1S,5aR)-1-methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexah...) Show SMILES CO[C@@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45 Show InChI InChI=1S/C20H21NO/c1-20(22-3)14-6-4-5-13-11-16-18-12(9-10-21(16)2)7-8-15(20)19(18)17(13)14/h4-8,16H,9-11H2,1-3H3/t16-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				J Med Chem 46: 2795-812 (2003) Article DOI: 10.1021/jm030030n BindingDB Entry DOI: 10.7270/Q2M0465F
					More data for this Ligand-Target Pair