BDBM288741 US10092551, Example 49::US10092551, Example 96

SMILES: C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)nc1

InChI Key: InChIKey=AWOIKELXSAHCBY-RGEXLXHISA-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 = 288741   

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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288741 (US10092551, Example 49 | US10092551, Example 96) Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)nc1 |c:4| Show InChI InChI=1S/C22H20ClN3O2S/c1-14(15-6-7-18(23)24-12-15)19-20(27)25-21(29-19)26-10-8-22(9-11-26)17-5-3-2-4-16(17)13-28-22/h2-7,12H,8-11,13H2,1H3/b19-14-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.398	-12.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288741 (US10092551, Example 49 | US10092551, Example 96) Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)nc1 |c:4| Show InChI InChI=1S/C22H20ClN3O2S/c1-14(15-6-7-18(23)24-12-15)19-20(27)25-21(29-19)26-10-8-22(9-11-26)17-5-3-2-4-16(17)13-28-22/h2-7,12H,8-11,13H2,1H3/b19-14-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.794	-12.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair