BDBM50195697 (3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(2S)-2-[(2S)-butan-2-yl]-4-({[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl}methyl)-9-[(4-hydroxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}propanoic acid::CHEMBL385706

SMILES: CC[C@H](C)[C@@H]1Nc2c(Cc3ccc(O)cc3)cc(NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)cc2CN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O

InChI Key: InChIKey=QLHVOKAORWUHPJ-RSYVWOFOSA-N

Data: 1 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 1 hit for monomerid = 50195697   

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
Angiotensin II receptor (Homo sapiens (Human))	BDBM50195697 ((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(2S)-2-[(2S)-bu...) Show SMILES CC[C@H](C)[C@@H]1Nc2c(Cc3ccc(O)cc3)cc(NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)cc2CN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O |wU:25.33,70.73,4.3,2.2,wD:53.54,36.37,21.22,66.70,(14.02,-9.64,;14.01,-11.18,;12.68,-11.94,;11.35,-11.17,;12.67,-13.48,;11.16,-13.15,;9.94,-14.11,;8.6,-13.34,;8.6,-11.8,;7.26,-11.03,;7.27,-9.49,;5.93,-8.73,;4.6,-9.5,;3.26,-8.73,;4.61,-11.05,;5.95,-11.81,;7.28,-14.11,;7.28,-15.65,;5.96,-16.41,;4.62,-15.64,;4.62,-14.1,;3.28,-16.41,;1.95,-15.64,;.62,-16.41,;.62,-17.95,;-.72,-15.64,;-.72,-14.1,;-2.05,-13.33,;-2.05,-11.79,;-3.38,-11.02,;-3.38,-9.48,;-4.71,-8.71,;-2.05,-8.71,;-2.05,-16.41,;-3.38,-15.64,;-3.38,-14.1,;-4.71,-16.41,;-6.05,-15.64,;-4.71,-17.95,;-6.05,-18.72,;-7.39,-17.95,;-6.05,-20.26,;3.28,-17.95,;1.95,-18.72,;4.62,-18.72,;8.61,-16.42,;9.94,-15.65,;11.15,-16.63,;12.67,-16.28,;13.62,-17.48,;15.16,-17.51,;15.91,-18.86,;15.96,-16.19,;17.5,-16.21,;18.65,-17.24,;18.55,-18.78,;19.77,-19.74,;19.16,-21.18,;17.62,-21.06,;17.26,-19.56,;18.25,-14.87,;17.46,-13.55,;19.79,-14.86,;20.14,-16.33,;21.66,-16.52,;22.26,-15.08,;21.07,-14.07,;21.07,-12.53,;19.73,-11.76,;22.4,-11.75,;22.43,-10.22,;21.11,-9.42,;21.13,-7.87,;22.48,-7.13,;22.51,-5.6,;21.19,-4.8,;19.85,-5.53,;19.81,-7.08,;23.77,-9.47,;23.8,-7.93,;25.09,-10.26,;13.34,-14.88,;14.88,-14.88,)| Show InChI InChI=1S/C57H76N14O12/c1-5-32(4)48-55(81)70(29-45(73)65-42(25-38-27-61-30-63-38)54(80)71-20-10-14-44(71)52(78)67-43(56(82)83)22-33-11-7-6-8-12-33)28-36-24-37(23-35(49(36)68-48)21-34-15-17-39(72)18-16-34)64-53(79)47(31(2)3)69-51(77)41(13-9-19-62-57(59)60)66-50(76)40(58)26-46(74)75/h6-8,11-12,15-18,23-24,27,30-32,40-44,47-48,68,72H,5,9-10,13-14,19-22,25-26,28-29,58H2,1-4H3,(H,61,63)(H,64,79)(H,65,73)(H,66,76)(H,67,78)(H,69,77)(H,74,75)(H,82,83)(H4,59,60,62)/t32-,40-,41-,42-,43-,44-,47-,48-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [125I]Ang2 from AT2 receptor in pig uterus myometrium				J Med Chem 49: 6133-7 (2006) Article DOI: 10.1021/jm051222g BindingDB Entry DOI: 10.7270/Q28P619Q
					More data for this Ligand-Target Pair