BDBM50032516 (6aR,12bS)-4-Methyl-6-propyl-5,6,6a,7,8,12b-hexahydro-benzo[a]phenanthridine-10,11-diol::10,11-Dihydroxy-4-methyl-6-propyl-5,6,6a,7,8,12b-hexahydro-benzo[a]phenanthridinium(4-MNP-DHX)::CHEMBL104141

SMILES: CCCN1Cc2c(C)cccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21

InChI Key: InChIKey=IURHNFGBYOFFDB-WIYYLYMNSA-N

Data: 5 Kd  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 6 hits for monomerid = 50032516   

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
Adenylate cyclase type V (Rattus norvegicus)	BDBM50032516 ((6aR,12bS)-4-Methyl-6-propyl-5,6,6a,7,8,12b-hexahy...) Show SMILES CCCN1Cc2c(C)cccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21 Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/t18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	333	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate				J Med Chem 38: 3062-70 (1995) BindingDB Entry DOI: 10.7270/Q2JD4VTB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50032516 ((6aR,12bS)-4-Methyl-6-propyl-5,6,6a,7,8,12b-hexahy...) Show SMILES CCCN1Cc2c(C)cccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21 Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/t18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.				J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50032516 ((6aR,12bS)-4-Methyl-6-propyl-5,6,6a,7,8,12b-hexahy...) Show SMILES CCCN1Cc2c(C)cccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21 Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/t18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.				J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50032516 ((6aR,12bS)-4-Methyl-6-propyl-5,6,6a,7,8,12b-hexahy...) Show SMILES CCCN1Cc2c(C)cccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21 Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/t18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.				J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50032516 ((6aR,12bS)-4-Methyl-6-propyl-5,6,6a,7,8,12b-hexahy...) Show SMILES CCCN1Cc2c(C)cccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21 Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/t18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro affinity at mutant D2 receptor (S193A) in C6 (glioma) cell membranes.				J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50032516 ((6aR,12bS)-4-Methyl-6-propyl-5,6,6a,7,8,12b-hexahy...) Show SMILES CCCN1Cc2c(C)cccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21 Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/t18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.				J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2
					More data for this Ligand-Target Pair