BDBM50261536 CHEMBL4103639

SMILES: Oc1ccc(N2CCN(CCCCOc3ccn4ncc(C=O)c4c3)CC2)c2ccc(=O)[nH]c12

InChI Key: InChIKey=NHLHTGDNMWUOMW-UHFFFAOYSA-N

Data: 7 KI  1 EC50

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 = 50261536   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM50261536 (CHEMBL4103639) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4ncc(C=O)c4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H27N5O4/c31-17-18-16-26-30-9-7-19(15-22(18)30)34-14-2-1-8-28-10-12-29(13-11-28)21-4-5-23(32)25-20(21)3-6-24(33)27-25/h3-7,9,15-17,32H,1-2,8,10-14H2,(H,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2SR expressed in CHO cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50261536 (CHEMBL4103639) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4ncc(C=O)c4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H27N5O4/c31-17-18-16-26-30-9-7-19(15-22(18)30)34-14-2-1-8-28-10-12-29(13-11-28)21-4-5-23(32)25-20(21)3-6-24(33)27-25/h3-7,9,15-17,32H,1-2,8,10-14H2,(H,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2LR expressed in CHO cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50261536 (CHEMBL4103639) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4ncc(C=O)c4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H27N5O4/c31-17-18-16-26-30-9-7-19(15-22(18)30)34-14-2-1-8-28-10-12-29(13-11-28)21-4-5-23(32)25-20(21)3-6-24(33)27-25/h3-7,9,15-17,32H,1-2,8,10-14H2,(H,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3R expressed in CHO cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50261536 (CHEMBL4103639) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4ncc(C=O)c4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H27N5O4/c31-17-18-16-26-30-9-7-19(15-22(18)30)34-14-2-1-8-28-10-12-29(13-11-28)21-4-5-23(32)25-20(21)3-6-24(33)27-25/h3-7,9,15-17,32H,1-2,8,10-14H2,(H,27,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D4R expressed in CHO cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50261536 (CHEMBL4103639) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4ncc(C=O)c4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H27N5O4/c31-17-18-16-26-30-9-7-19(15-22(18)30)34-14-2-1-8-28-10-12-29(13-11-28)21-4-5-23(32)25-20(21)3-6-24(33)27-25/h3-7,9,15-17,32H,1-2,8,10-14H2,(H,27,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human D1R expressed in HEK293T cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50261536 (CHEMBL4103639) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4ncc(C=O)c4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H27N5O4/c31-17-18-16-26-30-9-7-19(15-22(18)30)34-14-2-1-8-28-10-12-29(13-11-28)21-4-5-23(32)25-20(21)3-6-24(33)27-25/h3-7,9,15-17,32H,1-2,8,10-14H2,(H,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2AR expressed in HEK293T cell membranes1				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50261536 (CHEMBL4103639) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4ncc(C=O)c4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H27N5O4/c31-17-18-16-26-30-9-7-19(15-22(18)30)34-14-2-1-8-28-10-12-29(13-11-28)21-4-5-23(32)25-20(21)3-6-24(33)27-25/h3-7,9,15-17,32H,1-2,8,10-14H2,(H,27,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human D5R expressed in HEK293T cell membranes				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50261536 (CHEMBL4103639) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4ncc(C=O)c4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H27N5O4/c31-17-18-16-26-30-9-7-19(15-22(18)30)34-14-2-1-8-28-10-12-29(13-11-28)21-4-5-23(32)25-20(21)3-6-24(33)27-25/h3-7,9,15-17,32H,1-2,8,10-14H2,(H,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	51	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human D2SR expressed in HEK293 cells incubated for 5 hrs by beta-Arrestin 2 recruitment assay				Bioorg Med Chem 25: 5613-5628 (2017) Article DOI: 10.1016/j.bmc.2017.08.037 BindingDB Entry DOI: 10.7270/Q2B56N7Q
					More data for this Ligand-Target Pair