BDBM50418368 CHEMBL1774020

SMILES: COc1ccc(CC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc1

InChI Key: InChIKey=HQFLWOURXMVMMC-JTOYRKQZSA-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 = 50418368   

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))	BDBM50418368 (CHEMBL1774020) Show SMILES COc1ccc(CC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc1 |r,TLB:30:29:26.25:22.28.23| Show InChI InChI=1S/C26H32ClN3O3/c1-30-21-9-10-22(30)16-20(15-21)28-26(32)24(13-17-3-7-19(27)8-4-17)29-25(31)14-18-5-11-23(33-2)12-6-18/h3-8,11-12,20-22,24H,9-10,13-16H2,1-2H3,(H,28,32)(H,29,31)/t20-,21+,22-,24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human V1A receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3163-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.096 BindingDB Entry DOI: 10.7270/Q2K64KB0
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50418368 (CHEMBL1774020) Show SMILES COc1ccc(CC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc1 |r,TLB:30:29:26.25:22.28.23| Show InChI InChI=1S/C26H32ClN3O3/c1-30-21-9-10-22(30)16-20(15-21)28-26(32)24(13-17-3-7-19(27)8-4-17)29-25(31)14-18-5-11-23(33-2)12-6-18/h3-8,11-12,20-22,24H,9-10,13-16H2,1-2H3,(H,28,32)(H,29,31)/t20-,21+,22-,24-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3163-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.096 BindingDB Entry DOI: 10.7270/Q2K64KB0
					More data for this Ligand-Target Pair