BDBM50104926 CHEMBL3597636

SMILES: OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12

InChI Key: InChIKey=KRUWNGHFXJBYSG-UHFFFAOYSA-N

Data: 5 KI  2 IC50  3 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 10 hits for monomerid = 50104926   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50104926 (CHEMBL3597636) Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C28H30N4O2/c33-24(12-13-29-28(34)23-18-22-7-2-4-10-26(22)30-19-23)20-31-14-16-32(17-15-31)27-11-5-8-21-6-1-3-9-25(21)27/h1-11,18-19,24,33H,12-17,20H2,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I]DOI from 5HT2A receptor (unknown origin)				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50104926 (CHEMBL3597636) Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C28H30N4O2/c33-24(12-13-29-28(34)23-18-22-7-2-4-10-26(22)30-19-23)20-31-14-16-32(17-15-31)27-11-5-8-21-6-1-3-9-25(21)27/h1-11,18-19,24,33H,12-17,20H2,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50104926 (CHEMBL3597636) Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C28H30N4O2/c33-24(12-13-29-28(34)23-18-22-7-2-4-10-26(22)30-19-23)20-31-14-16-32(17-15-31)27-11-5-8-21-6-1-3-9-25(21)27/h1-11,18-19,24,33H,12-17,20H2,(H,29,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin)				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50104926 (CHEMBL3597636) Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C28H30N4O2/c33-24(12-13-29-28(34)23-18-22-7-2-4-10-26(22)30-19-23)20-31-14-16-32(17-15-31)27-11-5-8-21-6-1-3-9-25(21)27/h1-11,18-19,24,33H,12-17,20H2,(H,29,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I]DOI from 5HT2C receptor (unknown origin)				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50104926 (CHEMBL3597636) Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C28H30N4O2/c33-24(12-13-29-28(34)23-18-22-7-2-4-10-26(22)30-19-23)20-31-14-16-32(17-15-31)27-11-5-8-21-6-1-3-9-25(21)27/h1-11,18-19,24,33H,12-17,20H2,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50104926 (CHEMBL3597636) Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C28H30N4O2/c33-24(12-13-29-28(34)23-18-22-7-2-4-10-26(22)30-19-23)20-31-14-16-32(17-15-31)27-11-5-8-21-6-1-3-9-25(21)27/h1-11,18-19,24,33H,12-17,20H2,(H,29,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Agonist activity at 5HT1A receptor (unknown origin) by [35S]GTPgammaS binding assay				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50104926 (CHEMBL3597636) Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C28H30N4O2/c33-24(12-13-29-28(34)23-18-22-7-2-4-10-26(22)30-19-23)20-31-14-16-32(17-15-31)27-11-5-8-21-6-1-3-9-25(21)27/h1-11,18-19,24,33H,12-17,20H2,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Antagonist activity at human dopamine D3 receptor expressed in CHO cells assessed as inhibition of quinpirole-stimulated mitogenesis				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50104926 (CHEMBL3597636) Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C28H30N4O2/c33-24(12-13-29-28(34)23-18-22-7-2-4-10-26(22)30-19-23)20-31-14-16-32(17-15-31)27-11-5-8-21-6-1-3-9-25(21)27/h1-11,18-19,24,33H,12-17,20H2,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as stimulation of quinpirole-stimulated mitogenesis				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50104926 (CHEMBL3597636) Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C28H30N4O2/c33-24(12-13-29-28(34)23-18-22-7-2-4-10-26(22)30-19-23)20-31-14-16-32(17-15-31)27-11-5-8-21-6-1-3-9-25(21)27/h1-11,18-19,24,33H,12-17,20H2,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Antagonist activity at human dopamine D2 receptor expressed in CHO cells assessed as inhibition of quinpirole-stimulated mitogenesis				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50104926 (CHEMBL3597636) Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C28H30N4O2/c33-24(12-13-29-28(34)23-18-22-7-2-4-10-26(22)30-19-23)20-31-14-16-32(17-15-31)27-11-5-8-21-6-1-3-9-25(21)27/h1-11,18-19,24,33H,12-17,20H2,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Agonist activity at human dopamine D3 receptor expressed in CHO cells assessed as stimulation of quinpirole-stimulated mitogenesis				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair