BDBM50418907 CHEMBL1807267

SMILES: CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=WQWVVKJIHZFVMY-WXFUMESZSA-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 = 50418907   

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))	BDBM50418907 (CHEMBL1807267) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1 |r,wU:6.9,12.22,wD:3.2,(9.98,-20.03,;8.63,-19.26,;8.62,-17.7,;7.28,-20.04,;5.95,-19.28,;4.62,-20.05,;4.64,-21.58,;5.96,-22.34,;7.28,-21.57,;3.32,-22.35,;1.99,-21.59,;1.98,-20.05,;.65,-22.36,;.66,-23.9,;-.67,-24.68,;-2,-23.91,;-3.33,-24.68,;-3.33,-26.23,;-4.66,-27,;-1.98,-26.99,;-.65,-26.21,;-.68,-21.6,;-.69,-20.06,;.64,-19.28,;-2.03,-19.29,;-1.25,-17.94,;-2.81,-17.95,;-3.35,-20.07,;-4.69,-19.31,;-6.02,-20.08,;-6.02,-21.62,;-7.35,-22.38,;-4.69,-22.39,;-3.35,-21.62,)| Show InChI InChI=1S/C27H33Cl2N3O2/c1-32(2)23-13-11-22(12-14-23)30-25(33)24(17-18-3-7-20(28)8-4-18)31-26(34)27(15-16-27)19-5-9-21(29)10-6-19/h3-10,22-24H,11-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,23-,24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0398	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: 4622-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.092 BindingDB Entry DOI: 10.7270/Q20866KR
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50418907 (CHEMBL1807267) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1 |r,wU:6.9,12.22,wD:3.2,(9.98,-20.03,;8.63,-19.26,;8.62,-17.7,;7.28,-20.04,;5.95,-19.28,;4.62,-20.05,;4.64,-21.58,;5.96,-22.34,;7.28,-21.57,;3.32,-22.35,;1.99,-21.59,;1.98,-20.05,;.65,-22.36,;.66,-23.9,;-.67,-24.68,;-2,-23.91,;-3.33,-24.68,;-3.33,-26.23,;-4.66,-27,;-1.98,-26.99,;-.65,-26.21,;-.68,-21.6,;-.69,-20.06,;.64,-19.28,;-2.03,-19.29,;-1.25,-17.94,;-2.81,-17.95,;-3.35,-20.07,;-4.69,-19.31,;-6.02,-20.08,;-6.02,-21.62,;-7.35,-22.38,;-4.69,-22.39,;-3.35,-21.62,)| Show InChI InChI=1S/C27H33Cl2N3O2/c1-32(2)23-13-11-22(12-14-23)30-25(33)24(17-18-3-7-20(28)8-4-18)31-26(34)27(15-16-27)19-5-9-21(29)10-6-19/h3-10,22-24H,11-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,23-,24-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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: 4622-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.092 BindingDB Entry DOI: 10.7270/Q20866KR
					More data for this Ligand-Target Pair