BDBM50220922 (S)-1-(adamantan-2-ylamino)-3-(1H-indol-4-yloxy)-propan-2-ol::CHEMBL236515

SMILES: O[C@@H](CNC1C2CC3CC(C2)CC1C3)COc1cccc2[nH]ccc12

InChI Key: InChIKey=YBHDYSORKFCAGR-KNVKKHEKSA-N

Data: 2 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 2 hits for monomerid = 50220922   

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 1A (Homo sapiens (Human))	BDBM50220922 ((S)-1-(adamantan-2-ylamino)-3-(1H-indol-4-yloxy)-p...) Show SMILES O[C@@H](CNC1C2CC3CC(C2)CC1C3)COc1cccc2[nH]ccc12 |wU:1.0,TLB:10:9:13:6.5.4,10:5:8.9.11:13,THB:4:5:8:11.12.13,4:12:8:6.10.5,3:4:8.9.11:13,(-3.16,-7.43,;-3.16,-8.97,;-1.82,-9.73,;-.49,-8.96,;.78,-9.83,;2.2,-9.27,;3.05,-10.43,;3.09,-11.85,;4.72,-12.48,;3.77,-11.25,;3.77,-9.73,;2.3,-11.84,;.77,-11.34,;1.71,-12.41,;-4.49,-9.74,;-5.82,-8.98,;-7.15,-9.75,;-8.49,-8.99,;-9.82,-9.76,;-9.82,-11.31,;-8.49,-12.07,;-8.17,-13.59,;-6.63,-13.75,;-6,-12.34,;-7.15,-11.3,)| Show InChI InChI=1S/C21H28N2O2/c24-17(12-25-20-3-1-2-19-18(20)4-5-22-19)11-23-21-15-7-13-6-14(9-15)10-16(21)8-13/h1-5,13-17,21-24H,6-12H2/t13?,14?,15?,16?,17-,21?/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]DPAT from human 5HT1A receptor				Bioorg Med Chem Lett 17: 5600-4 (2007) Article DOI: 10.1016/j.bmcl.2007.07.086 BindingDB Entry DOI: 10.7270/Q2FJ2GG0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50220922 ((S)-1-(adamantan-2-ylamino)-3-(1H-indol-4-yloxy)-p...) Show SMILES O[C@@H](CNC1C2CC3CC(C2)CC1C3)COc1cccc2[nH]ccc12 |wU:1.0,TLB:10:9:13:6.5.4,10:5:8.9.11:13,THB:4:5:8:11.12.13,4:12:8:6.10.5,3:4:8.9.11:13,(-3.16,-7.43,;-3.16,-8.97,;-1.82,-9.73,;-.49,-8.96,;.78,-9.83,;2.2,-9.27,;3.05,-10.43,;3.09,-11.85,;4.72,-12.48,;3.77,-11.25,;3.77,-9.73,;2.3,-11.84,;.77,-11.34,;1.71,-12.41,;-4.49,-9.74,;-5.82,-8.98,;-7.15,-9.75,;-8.49,-8.99,;-9.82,-9.76,;-9.82,-11.31,;-8.49,-12.07,;-8.17,-13.59,;-6.63,-13.75,;-6,-12.34,;-7.15,-11.3,)| Show InChI InChI=1S/C21H28N2O2/c24-17(12-25-20-3-1-2-19-18(20)4-5-22-19)11-23-21-15-7-13-6-14(9-15)10-16(21)8-13/h1-5,13-17,21-24H,6-12H2/t13?,14?,15?,16?,17-,21?/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as inhibition of 5HT-stimulated [35S]GTPgammaS binding				Bioorg Med Chem Lett 17: 5600-4 (2007) Article DOI: 10.1016/j.bmcl.2007.07.086 BindingDB Entry DOI: 10.7270/Q2FJ2GG0
					More data for this Ligand-Target Pair