BDBM50016833 13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-benzyl-3,3-dimethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid::CHEMBL2370370

SMILES: CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O

InChI Key: InChIKey=VMCDTJFXUBRKBP-QXUYBEEESA-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 = 50016833   

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
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50016833 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O |r| Show InChI InChI=1S/C28H35N5O7S2/c1-28(2)23(27(39)40)33-26(38)20(13-16-6-4-3-5-7-16)31-22(35)14-30-25(37)21(15-41-42-28)32-24(36)19(29)12-17-8-10-18(34)11-9-17/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t19-,20-,21+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline and French Laboratories Curated by ChEMBL					Assay Description The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE				J Med Chem 32: 302-4 (1989) BindingDB Entry DOI: 10.7270/Q2SX6DT2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50016833 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O |r| Show InChI InChI=1S/C28H35N5O7S2/c1-28(2)23(27(39)40)33-26(38)20(13-16-6-4-3-5-7-16)31-22(35)14-30-25(37)21(15-41-42-28)32-24(36)19(29)12-17-8-10-18(34)11-9-17/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t19-,20-,21+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline and French Laboratories Curated by ChEMBL					Assay Description The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE				J Med Chem 32: 302-4 (1989) BindingDB Entry DOI: 10.7270/Q2SX6DT2
					More data for this Ligand-Target Pair