BDBM50392122 CHEMBL2152633::US10874669, Compound (+)-10

SMILES: CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1

InChI Key: InChIKey=YQJXEYCSOAXZLM-FQEVSTJZSA-N

Data: 4 KI  2 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 6 hits for monomerid = 50392122   

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(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50392122 (CHEMBL2152633 | US10874669, Compound (+)-10) Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells				J Med Chem 55: 5826-40 (2012) Article DOI: 10.1021/jm300268s BindingDB Entry DOI: 10.7270/Q2NC629F
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50392122 (CHEMBL2152633 | US10874669, Compound (+)-10) Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	15.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WAYNE STATE UNIVERSITY US Patent					Assay Description A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...				US Patent US10874669 (2020)
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50392122 (CHEMBL2152633 | US10874669, Compound (+)-10) Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells				J Med Chem 55: 5826-40 (2012) Article DOI: 10.1021/jm300268s BindingDB Entry DOI: 10.7270/Q2NC629F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50392122 (CHEMBL2152633 | US10874669, Compound (+)-10) Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WAYNE STATE UNIVERSITY US Patent					Assay Description A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of th...				US Patent US10874669 (2020)
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50392122 (CHEMBL2152633 | US10874669, Compound (+)-10) Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Agonist activity at human cloned dopamine D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 55: 5826-40 (2012) Article DOI: 10.1021/jm300268s BindingDB Entry DOI: 10.7270/Q2NC629F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50392122 (CHEMBL2152633 | US10874669, Compound (+)-10) Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Agonist activity at human cloned dopamine D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 55: 5826-40 (2012) Article DOI: 10.1021/jm300268s BindingDB Entry DOI: 10.7270/Q2NC629F
					More data for this Ligand-Target Pair