BDBM50306327 (6aS,13bS)-4-amino-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol::CHEMBL591685

SMILES: CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(N)cccc21

InChI Key: InChIKey=VLPGZLXTGTZSSM-PKOBYXMFSA-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 = 50306327   

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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50306327 ((6aS,13bS)-4-amino-11-chloro-7-methyl-6,6a,7,8,9,1...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(N)cccc21 |r| Show InChI InChI=1S/C19H21ClN2O/c1-22-8-7-11-9-15(20)18(23)10-14(11)19-13-3-2-4-16(21)12(13)5-6-17(19)22/h2-4,9-10,17,19,23H,5-8,21H2,1H3/t17-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to dopamine D1 receptor				Bioorg Med Chem Lett 20: 836-40 (2010) Article DOI: 10.1016/j.bmcl.2009.12.100 BindingDB Entry DOI: 10.7270/Q23N23HT
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50306327 ((6aS,13bS)-4-amino-11-chloro-7-methyl-6,6a,7,8,9,1...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(N)cccc21 |r| Show InChI InChI=1S/C19H21ClN2O/c1-22-8-7-11-9-15(20)18(23)10-14(11)19-13-3-2-4-16(21)12(13)5-6-17(19)22/h2-4,9-10,17,19,23H,5-8,21H2,1H3/t17-,19+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to dopamine D5 receptor				Bioorg Med Chem Lett 20: 836-40 (2010) Article DOI: 10.1016/j.bmcl.2009.12.100 BindingDB Entry DOI: 10.7270/Q23N23HT
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50306327 ((6aS,13bS)-4-amino-11-chloro-7-methyl-6,6a,7,8,9,1...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(N)cccc21 |r| Show InChI InChI=1S/C19H21ClN2O/c1-22-8-7-11-9-15(20)18(23)10-14(11)19-13-3-2-4-16(21)12(13)5-6-17(19)22/h2-4,9-10,17,19,23H,5-8,21H2,1H3/t17-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to dopamine D2 receptor				Bioorg Med Chem Lett 20: 836-40 (2010) Article DOI: 10.1016/j.bmcl.2009.12.100 BindingDB Entry DOI: 10.7270/Q23N23HT
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50306327 ((6aS,13bS)-4-amino-11-chloro-7-methyl-6,6a,7,8,9,1...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(N)cccc21 |r| Show InChI InChI=1S/C19H21ClN2O/c1-22-8-7-11-9-15(20)18(23)10-14(11)19-13-3-2-4-16(21)12(13)5-6-17(19)22/h2-4,9-10,17,19,23H,5-8,21H2,1H3/t17-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to dopamine D4 receptor				Bioorg Med Chem Lett 20: 836-40 (2010) Article DOI: 10.1016/j.bmcl.2009.12.100 BindingDB Entry DOI: 10.7270/Q23N23HT
					More data for this Ligand-Target Pair