BDBM50280053 7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((2R,5S,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide::CHEMBL18329::DHC::DIHYDROERGOCRYPTINE

SMILES: CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)C3CC4C(Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)C2CCCN2C1=O)C(C)C

InChI Key: InChIKey=PBUNVLRHZGSROC-ACVFXLHMSA-N

Data: 4 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 4 hits for monomerid = 50280053   

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
HTR6 (MOUSE)	BDBM50280053 (7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...) Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)C3CC4C(Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)C2CCCN2C1=O)C(C)C Show InChI InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20?,22?,24?,25-,26?,31+,32-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by PDSP Ki Database									Mol Pharmacol 44: 229-36 (1993) BindingDB Entry DOI: 10.7270/Q2KH0KTV
					More data for this Ligand-Target Pair
HTR6 (RAT)	BDBM50280053 (7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...) Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)C3CC4C(Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)C2CCCN2C1=O)C(C)C Show InChI InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20?,22?,24?,25-,26?,31+,32-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by PDSP Ki Database									Mol Pharmacol 43: 320-7 (1993) BindingDB Entry DOI: 10.7270/Q2ST7NCG
					More data for this Ligand-Target Pair
HTR6 (RAT)	BDBM50280053 (7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...) Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)C3CC4C(Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)C2CCCN2C1=O)C(C)C Show InChI InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20?,22?,24?,25-,26?,31+,32-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by PDSP Ki Database									Neuropharmacology 33: 275-317 (1994) Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Rattus norvegicus (rat))	BDBM50280053 (7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-...) Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)C3CC4C(Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)C2CCCN2C1=O)C(C)C Show InChI InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20?,22?,24?,25-,26?,31+,32-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
U. 109 Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 90: 8547-51 (1993) Article DOI: 10.1073/pnas.90.18.8547 BindingDB Entry DOI: 10.7270/Q29Z93D3
					More data for this Ligand-Target Pair