BDBM50531604 CHEMBL4562437

SMILES: CN1CCC2(CC1)N[C@@H](CC1CNc3ccccc13)C(=O)N(C2=O)c1c(C)cccc1C

InChI Key: InChIKey=FVVJBQFXISQDKF-BPARTEKVSA-N

Data: 3 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 3 hits for monomerid = 50531604   

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
Histamine H2 receptor (Homo sapiens (Human))	BDBM50531604 (CHEMBL4562437) Show SMILES CN1CCC2(CC1)N[C@@H](CC1CNc3ccccc13)C(=O)N(C2=O)c1c(C)cccc1C |r| Show InChI InChI=1S/C26H32N4O2/c1-17-7-6-8-18(2)23(17)30-24(31)22(15-19-16-27-21-10-5-4-9-20(19)21)28-26(25(30)32)11-13-29(3)14-12-26/h4-10,19,22,27-28H,11-16H2,1-3H3/t19?,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	546	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Binding affinity to human histamine 2 receptor expressed in HEK cells by radioligand binding assay				Eur J Med Chem 164: 241-251 (2019) Article DOI: 10.1016/j.ejmech.2018.12.048
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50531604 (CHEMBL4562437) Show SMILES CN1CCC2(CC1)N[C@@H](CC1CNc3ccccc13)C(=O)N(C2=O)c1c(C)cccc1C |r| Show InChI InChI=1S/C26H32N4O2/c1-17-7-6-8-18(2)23(17)30-24(31)22(15-19-16-27-21-10-5-4-9-20(19)21)28-26(25(30)32)11-13-29(3)14-12-26/h4-10,19,22,27-28H,11-16H2,1-3H3/t19?,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells by radioligand binding assay				Eur J Med Chem 164: 241-251 (2019) Article DOI: 10.1016/j.ejmech.2018.12.048
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50531604 (CHEMBL4562437) Show SMILES CN1CCC2(CC1)N[C@@H](CC1CNc3ccccc13)C(=O)N(C2=O)c1c(C)cccc1C |r| Show InChI InChI=1S/C26H32N4O2/c1-17-7-6-8-18(2)23(17)30-24(31)22(15-19-16-27-21-10-5-4-9-20(19)21)28-26(25(30)32)11-13-29(3)14-12-26/h4-10,19,22,27-28H,11-16H2,1-3H3/t19?,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	993	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK cells by radioligand binding assay				Eur J Med Chem 164: 241-251 (2019) Article DOI: 10.1016/j.ejmech.2018.12.048
					More data for this Ligand-Target Pair