BDBM50421557 CHEMBL111304

SMILES: CC(C)(C)c1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(C)(C)C

InChI Key: InChIKey=SKFQAUXRVOPVSQ-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50421557   

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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50421557 (CHEMBL111304) Show SMILES CC(C)(C)c1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(C)(C)C Show InChI InChI=1S/C27H40N2O/c1-26(2,3)23-16-21(17-24(18-23)27(4,5)6)19-30-20-25(22-10-8-7-9-11-22)29-14-12-28-13-15-29/h7-11,16-18,25,28H,12-15,19-20H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
UCB Pharma Curated by ChEMBL					Assay Description Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 13: 437-42 (2003) Checked by Author BindingDB Entry DOI: 10.7270/Q2MC91J0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50421557 (CHEMBL111304) Show SMILES CC(C)(C)c1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(C)(C)C Show InChI InChI=1S/C27H40N2O/c1-26(2,3)23-16-21(17-24(18-23)27(4,5)6)19-30-20-25(22-10-8-7-9-11-22)29-14-12-28-13-15-29/h7-11,16-18,25,28H,12-15,19-20H2,1-6H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.				Bioorg Med Chem Lett 12: 3195-8 (2002) BindingDB Entry DOI: 10.7270/Q2KW5HBF
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50421557 (CHEMBL111304) Show SMILES CC(C)(C)c1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(C)(C)C Show InChI InChI=1S/C27H40N2O/c1-26(2,3)23-16-21(17-24(18-23)27(4,5)6)19-30-20-25(22-10-8-7-9-11-22)29-14-12-28-13-15-29/h7-11,16-18,25,28H,12-15,19-20H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand				Bioorg Med Chem Lett 12: 3195-8 (2002) BindingDB Entry DOI: 10.7270/Q2KW5HBF
					More data for this Ligand-Target Pair