BDBM50088754 CHEMBL274577::Cyclopentadienyltricarbonylrheniumbenzazepine (2`-CPTR-SCH-23390)

SMILES: CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O

InChI Key: InChIKey=MTETXAOPUKRGDV-UHFFFAOYSA-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 = 50088754   

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 (RAT)	BDBM50088754 (CHEMBL274577 | Cyclopentadienyltricarbonylrheniumb...) Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25| Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-11-10-16-12-21(24)22(26)13-19(16)20(14-25)17-8-4-5-9-18(17)23(27)15-6-2-3-7-15;3*1-2;/h2-9,12-13,20,26H,10-11,14H2,1H3;3*1H;	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Compound was evaluated for affinity towards dopamine D1-like receptor in homogenate of caudateputamen tissue from rat brain				Bioorg Med Chem Lett 10: 1113-5 (2000) BindingDB Entry DOI: 10.7270/Q21N81NF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50088754 (CHEMBL274577 | Cyclopentadienyltricarbonylrheniumb...) Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25| Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-11-10-16-12-21(24)22(26)13-19(16)20(14-25)17-8-4-5-9-18(17)23(27)15-6-2-3-7-15;3*1-2;/h2-9,12-13,20,26H,10-11,14H2,1H3;3*1H;	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2A receptor in homogenate of caudate putamen tissue from rat brain				Bioorg Med Chem Lett 10: 1113-5 (2000) BindingDB Entry DOI: 10.7270/Q21N81NF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50088754 (CHEMBL274577 | Cyclopentadienyltricarbonylrheniumb...) Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25| Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-11-10-16-12-21(24)22(26)13-19(16)20(14-25)17-8-4-5-9-18(17)23(27)15-6-2-3-7-15;3*1-2;/h2-9,12-13,20,26H,10-11,14H2,1H3;3*1H;	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2C receptor in homogenate of caudate putamen tissue from rat brain				Bioorg Med Chem Lett 10: 1113-5 (2000) BindingDB Entry DOI: 10.7270/Q21N81NF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50088754 (CHEMBL274577 | Cyclopentadienyltricarbonylrheniumb...) Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25| Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-11-10-16-12-21(24)22(26)13-19(16)20(14-25)17-8-4-5-9-18(17)23(27)15-6-2-3-7-15;3*1-2;/h2-9,12-13,20,26H,10-11,14H2,1H3;3*1H;	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	549	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain				Bioorg Med Chem Lett 10: 1113-5 (2000) BindingDB Entry DOI: 10.7270/Q21N81NF
					More data for this Ligand-Target Pair