BDBM85395 MC-CAM

SMILES: COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(Cl)cc1

InChI Key: InChIKey=LZSMGMMAKBCSRL-IWRUZLQFSA-N

Data: 3 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 3 hits for monomerid = 85395   

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
Mu opioid receptor (CALF)	BDBM85395 (MC-CAM) Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(Cl)cc1 |r,TLB:25:24:19.5.6:8.14.13,9:8:24:19.5.6,THB:18:19:24:8.14.13| Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6-/t24?,28-,29?,30?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 304-11 (1999) BindingDB Entry DOI: 10.7270/Q2MC8XJC
					More data for this Ligand-Target Pair
OPRD1 (Bos taurus)	BDBM85395 (MC-CAM) Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(Cl)cc1 |r,TLB:25:24:19.5.6:8.14.13,9:8:24:19.5.6,THB:18:19:24:8.14.13| Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6-/t24?,28-,29?,30?/m0/s1	Reactome pathway B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 304-11 (1999) BindingDB Entry DOI: 10.7270/Q2MC8XJC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (CALF)	BDBM85395 (MC-CAM) Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(Cl)cc1 |r,TLB:25:24:19.5.6:8.14.13,9:8:24:19.5.6,THB:18:19:24:8.14.13| Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6-/t24?,28-,29?,30?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 304-11 (1999) BindingDB Entry DOI: 10.7270/Q2MC8XJC
					More data for this Ligand-Target Pair